SCHEMBL2014436

SCHEMBL2014436

CCCCc1ccc(C2OCC3(CO2)COC(c2ccc(N4CC[N]CC4)cc2)OC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA1D P25100 1/20 0.36
SPHK1 Q9NYA1 1/20 0.34
PLA2G2A P14555 3/20 0.33
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10306614 0.87 S1PR1 (0.42) S1PR1MEN1CYP2C19KMT2AADRA1D
SCHEMBL7506901 0.83 S1PR1 (0.50) S1PR1
SCHEMBL9501966 0.78 S1PR1 (0.58) S1PR1SPHK1LMNA
SCHEMBL9579345 0.74 MGLL (0.44) S1PR1MEN1CYP2C19KMT2A
SCHEMBL20799635 0.74 MEN1 (0.40) MEN1CYP2C19KMT2ASPHK1
SCHEMBL23771214 0.74 ALDH1A1 (0.47) MEN1CYP2C19KMT2AL3MBTL1ALOX12
SCHEMBL2014463 0.72 S1PR1 (0.42) S1PR1KMT2AADRA1DSPHK1
SCHEMBL2014460 0.72 S1PR1 (0.42) S1PR1KMT2AADRA1DSPHK1
SCHEMBL18754182 0.71 NPC1 (0.37) MEN1CYP2C19KMT2ASPHK1LMNA
SCHEMBL17929335 0.71 CETP (0.44) S1PR1ADRA1DSPHK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 EP claimed
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 EP claimed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 EP claimed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 EP claimed
US-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds TRANSITIONS OPTICAL, LTD. (IE) 2020-02-13 US claimed
EP-3268375-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS Transitions Optical, Inc. (US) 2018-01-17 EP claimed
EP-3071576-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP claimed
EP-3071551-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP claimed
WO-2016144324-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-09-15 WO claimed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US claimed
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO claimed
WO-2015077264-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO claimed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US claimed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US claimed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US claimed
EP-1639058-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2006-03-29 EP claimed
WO-2005005570-A1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2005-01-20 WO claimed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 US claimed
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 EP disclosed
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 EP disclosed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 EP disclosed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 EP disclosed
US-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds TRANSITIONS OPTICAL, LTD. (IE) 2020-02-13 US disclosed
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 EP disclosed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 EP disclosed
EP-3071550-B1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 EP disclosed
EP-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 EP disclosed
EP-2357217-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2018-10-31 EP disclosed
EP-2360224-B1 Photochromic compounds TRANSITIONS OPTICAL INC (US) 2018-10-17 EP disclosed
EP-3268375-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS Transitions Optical, Inc. (US) 2018-01-17 EP disclosed
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP disclosed
EP-3071551-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP disclosed
EP-3071550-A1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP disclosed
EP-3071576-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP disclosed
WO-2016144324-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-09-15 WO disclosed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US disclosed
WO-2015077147-A1 METHOD OF PREPARING FUSED RING INDENO COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed
WO-2015077264-A1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 US disclosed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
EP-2360224-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-24 EP disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US disclosed
US-7582749-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2009-09-01 US disclosed
US-7579022-B2 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2009-08-25 US disclosed
US-7560124-B2 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2009-07-14 US disclosed
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL, INC. (US) 2008-04-24 US disclosed
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL, INC. (US) 2008-04-24 US disclosed
US-7342112-B2 Photochromic compounds PPG INDUSTRIES OHIO, INC. (US) 2008-03-11 US disclosed
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible TRANSITIONS OPTICAL ,INC. (US) 2008-02-28 US disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 US disclosed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds ALDH1A2, RB1, INCENP S1PR1 3439/4885MEN1 1633/4885CYP2C19 651/4885
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 S1PR1 4146/4885MEN1 3233/4885CYP2C19 722/4885
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 S1PR1 4374/4885MEN1 3020/4885CYP2C19 2115/4885
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 S1PR1 4146/4885MEN1 3233/4885CYP2C19 722/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX S1PR1 3071/4885MEN1 3110/4885CYP2C19 489/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 S1PR1 4425/4885MEN1 1330/4885CYP2C19 455/4885
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 S1PR1 4374/4885MEN1 3020/4885CYP2C19 2115/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.