SCHEMBL3703014

SCHEMBL3703014

C1=Cc2ccc3ccc4ccccc4c3c2OC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP1A1 P04798 1/20 0.45
CYP2B6 P20813 2/20 0.41
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 4/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
CYP2A6 P11509 1/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
HIF1A Q16665 2/20 0.33
HPRT1 P00492 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
CES1 P23141 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
SCHEMBL29365059 0.88 CYP2B6 (0.43) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1
SCHEMBL1043402 0.88 CYP2B6 (0.43) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1
SCHEMBL29372595 0.88 CYP2B6 (0.43) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1
SCHEMBL3708936 0.83 HPRT1 (0.47) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1
Biphenyl SCHEMBL27808086 0.82 CYP1A1 (0.47) CYP1A2CYP1A1CYP2B6TDP1HSD17B10
Pyrimidine SCHEMBL28782816 0.78 CYP2B6 (0.38) CYP1A2CYP1A1CYP2B6TDP1HSD17B10
SCHEMBL2186959 0.77 CYP1A1 (0.55) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1
SCHEMBL874441 0.75 CYP1A1 (0.36) CYP1A2CYP1A1CYP2B6
SCHEMBL3835395 0.73 MTNR1A (0.48) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1
SCHEMBL31391373 0.73 MTNR1A (0.48) CYP1A2CYP1A1CYP2B6TDP1L3MBTL1

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000025-B1 SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2007-02-21 EP claimed
EP-0994871-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2006-02-15 EP claimed
EP-0835870-B1 Photochromic substituted naphthopyrans PPG IND OHIO INC (US) 2004-03-03 EP claimed
CN-1259935-A Substituted naphthopyrans OPTICAL TRANSFERRING CORP (US) 2000-07-12 CN claimed
CN-1234796-A Noval substituted naphthopyrans PPG INDUSTRIES INC (US) 1999-11-10 CN claimed
EP-0835870-A1 Photochromic substituted naphthopyrans PPG INDUSTRIES, INC. (US) 1998-04-15 EP claimed
US-5658500-A REVERSIBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US claimed
US-5658501-A Substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US claimed
US-5656206-A OPHTHALIMIC LENSES; RADIATION TRANSPARENT; PHOTOCHROMISM TRANSITIONS OPTICAL, INC. (US) 1997-08-12 US claimed
US-5650098-A PHOTOCHROMIC LENSES TRANSITIONS OPTICAL, INC. (US) 1997-07-22 US claimed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US claimed
US-5578252-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1996-11-26 US claimed
US-5552090-A Photochromic naphthopyran compounds PPG INDUSTRIES, INC. (US) 1996-09-03 US claimed
US-5552091-A PHOTOCHROMIC, LENSES PPG INDUSTRIES, INC. (US) 1996-09-03 US claimed
EP-1776436-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2019-05-08 EP disclosed
US-20120121910-A1 ABRASION RESISTANT COATING COMPOSITIONS AND COATED ARTICLES PPG INIDUSTRIES OHIO, INC. (US) 2012-05-17 US disclosed
EP-2001966-B1 ABRASION RESISTANT COATING COMPOSITIONS AND COATED ARTICLES PPG IND OHIO INC (US) 2012-05-16 EP disclosed
US-5552090-A Photochromic naphthopyran compounds PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed
WO-1996004576-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1996-02-15 WO disclosed
WO-1996004576-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1996-02-15 WO disclosed