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SCHEMBL12125156

SCHEMBL12125156

Cc1ccc(NC(=O)C2CCC(C(=O)Oc3ccc(-c4ccc(C5CCC(C)CC5)cc4)cc3)CC2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GBA1 P04062 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ GAA P10253 2/20 0.40

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
SCHEMBL15214810 0.91 PTPN1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL8771837 0.85 MAPK14 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9973063 0.85 LMNA (0.39) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL12125159 0.80 HTT (0.46) KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13135279 0.80 NAMPT (0.55) MEN1KMT2ASMN1; SMN2NPSR1RAB9A
SCHEMBL13135284 0.79 KMT2A (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL11412666 0.79 KMT2A (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL26365489 0.78 NPC1 (0.58) KMT2ASMN1; SMN2NPC1RAB9AF2
SCHEMBL16744175 0.77 NPC1 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21880295 0.75 HTT (0.51) KMT2ASMN1; SMN2NPC1RAB9ALMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051037-A1 Photochromic Thienochromene Compounds TRANSITIONS OPTICAL, INC. 2018-02-22 — — US disclosed
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 — — US disclosed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 — — US disclosed
US-9334439-B2 Photochromic articles that include photochromic-dichroic materials TRANSITIONS OPTICAL, INC. (US) 2016-05-10 — — US disclosed
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds TRANSITIONS OPTICAL, INC. 2016-03-03 — — US disclosed
US-9206151-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2015-12-08 — — US disclosed
US-9051332-B1 Photochromic indeno-fused ring pyran compounds TRANSITIONS OPTICAL, INC. (US) 2015-06-09 — — US disclosed
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC 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-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-21 — — US disclosed
US-20150141662-A1 Method Of Preparing Fused Ring Indeno 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-20140272468-A1 PHOTOCHROMIC ARTICLES THAT INCLUDE PHOTOCHROMIC-DICHROIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2014-09-18 — — US disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 — — US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 — — US disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 — — US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 — — 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 (6 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 MEN1 437/4885KMT2A 563/4885ALDH1A1 43/4885
US-20150141662-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 MEN1 657/4885KMT2A 1445/4885ALDH1A1 198/4885
US-20150141663-A1 Fused Ring Indeno Compounds For Preparation Of Photochromic Compounds IPO5, INCENP, NQO1 MEN1 2514/4885KMT2A 1702/4885ALDH1A1 339/4885
US-20160060205-A1 Method Of Preparing Fused Ring Indeno Compounds INHA, INTS9, CA9 MEN1 657/4885KMT2A 1445/4885ALDH1A1 198/4885
US-20150141661-A1 Photochromic Indeno-Fused Ring Pyran Compounds INF2, INCENP, RB1 MEN1 1330/4885KMT2A 1384/4885ALDH1A1 654/4885
US-20180051037-A1 Photochromic Thienochromene Compounds CRY1, CRY2, TERT MEN1 1203/4885KMT2A 1594/4885ALDH1A1 59/4885

“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.