SCHEMBL3708936

SCHEMBL3708936

C1=Cc2ccc3c(ccc4ccccc43)c2OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.47
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2B6 P20813 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
PAX8 Q06710 1/20 0.40
HIF1A Q16665 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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 0.91 CYP2B6 (0.43) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
SCHEMBL1043402 0.91 CYP2B6 (0.43) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
SCHEMBL29372595 0.91 CYP2B6 (0.43) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
Biphenyl SCHEMBL27808086 0.89 CYP1A1 (0.47) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
SCHEMBL3703014 0.83 CYP1A2 (0.45) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
Pyrimidine SCHEMBL28782816 0.81 CYP2B6 (0.38) CYP1A2CYP1A1CYP2B6ALDH1A1TDP1
SCHEMBL29175488 0.75 HPRT1 (0.41) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
SCHEMBL372269 0.73 HPRT1 (0.47) HPRT1CYP1A2CYP1A1CYP2B6ALDH1A1
SCHEMBL15192139 0.73 HSD17B10 (0.42) HPRT1CYP1A2ALDH1A1TDP1HSD17B10
SCHEMBL6247638 0.71 CYP2B6 (0.42) CYP1A2CYP1A1CYP2B6LMNAMEN1

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 79 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
US-6770687-B1 Water-based dual security ink NCR CORPORATION 2004-08-03 US 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
US-5552090-A Photochromic naphthopyran compounds PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed
US-5552091-A PHOTOCHROMIC, LENSES PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed
WO-1996004576-A1 NOVEL SUBSTITUTED PHENANTHROPYRANS PPG INDUSTRIES, INC. (US) 1996-02-15 WO disclosed