SCHEMBL2014462

SCHEMBL2014462

CCCCc1ccc(C2COC(c3ccc([N+]4CCN(C)CC4)cc3)OC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
SPHK2 Q9NRA0 7/20 0.33
LSS P48449 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
SCHEMBL12436511 0.83 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL2014460 0.82 S1PR1 (0.42) SPHK1
SCHEMBL2014463 0.82 S1PR1 (0.42) SPHK1
SCHEMBL17929335 0.74 CETP (0.44) SPHK1
SCHEMBL10640062 0.72 SPHK1 (0.49) SPHK1SPHK2
SCHEMBL11206222 0.71 TSHR (0.57) SPHK1
SCHEMBL10866676 0.71 P2RY6 (0.45) SPHK1SPHK2
SCHEMBL18754289 0.70 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL28123466 0.70 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL10640672 0.69 SPHK1 (0.54) SPHK1SPHK2

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 52 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
WO-2016144324-A1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-09-15 WO claimed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP claimed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP claimed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 US 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-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 EP disclosed
EP-3071550-B1 METHOD OF PREPARING FUSED RING INDENO 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-3071550-A1 METHOD OF PREPARING FUSED RING INDENO 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
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP 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
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
EP-2360224-A1 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2011-08-24 EP 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-7557206-B2 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2009-07-07 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-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method TRANSITIONS OPTICAL, INC. (US) 2008-02-21 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 (8 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 SPHK1 4608/4885SPHK2 4239/4885LSS 2780/4885
US-20080045704-A1 Thermally reversible; absorption ratio greater than 2.3; cell method CCND3, CCND1, CCND2 SPHK1 4439/4885SPHK2 4230/4885LSS 2656/4885
US-20080096048-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 SPHK1 4527/4885SPHK2 4447/4885LSS 2512/4885
US-20080051575-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 SPHK1 4468/4885SPHK2 4172/4885LSS 2508/4885
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 SPHK1 4527/4885SPHK2 4447/4885LSS 2512/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX SPHK1 2923/4885SPHK2 2284/4885LSS 1231/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 SPHK1 4544/4885SPHK2 3920/4885LSS 2143/4885
US-20080096049-A1 capable of switching between the two states in response to at least actinic radiation; thermally reversible CCND1, CCND2, CCNE1 SPHK1 4468/4885SPHK2 4172/4885LSS 2508/4885

“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.