SCHEMBL5264237

SCHEMBL5264237

COc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HNF4A P41235 1/20 0.36
PPIB P23284 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL7126396 0.94 CYP1A2 (0.36) CYP1A2CYP2A6HTTSMN1; SMN2HNF4A
SCHEMBL2134543 0.94 CYP11B1 (0.41) CYP1A2CYP2A6SMN1; SMN2KDM4EMAPT
SCHEMBL7723531 0.93 CYP11B1 (0.41) CYP1A2CYP2A6SMN1; SMN2KDM4EMAPT
SCHEMBL7119512 0.91 KDM1A (0.39) CYP1A2CYP2A6HTTSMN1; SMN2ALDH1A1
SCHEMBL7131287 0.91 KDM4E (0.40) CYP1A2CYP2A6HTTSMN1; SMN2HNF4A
SCHEMBL7127029 0.90 TP53 (0.36) CYP1A2CYP2A6HTTSMN1; SMN2KDM4E
SCHEMBL5615321 0.88 SMN1; SMN2 (0.43) CYP1A2CYP2A6HTTSMN1; SMN2KDM4E
SCHEMBL7128812 0.86 MAPT (0.40) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL2127858 0.85 CYP1A2 (0.39) CYP1A2CYP2A6HTTSMN1; SMN2HNF4A
Benzene SCHEMBL7254417 0.85 AKR1C3 (0.34) CYP1A2CYP2A6HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP claimed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP claimed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP claimed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP claimed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO claimed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US claimed
EP-0894275-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOSITIONS OF IMPROVED FATIGUE RESISTANCE TRANSITIONS OPTICAL INC (US) 2007-10-03 EP disclosed
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP disclosed
US-6478988-B1 Photochromic substituted naphthopyran compounds BMC VISION-EASE LENS, INC. 2002-11-12 US disclosed
US-6171525-B1 Process for the production of a photochromic object OPTISCHE WERKE G. RODENSTOCK (DE) 2001-01-09 US disclosed
EP-1016702-A2 Photochromic substituted naphthopyran compounds BMC Vision-Ease Lens Inc. (US) 2000-07-05 EP disclosed
EP-0755527-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2000-03-15 EP disclosed
CN-1216113-A Phtochromic naphthopyran compositions of neutral color OPTICAL CONVERSION INC (US) 1999-05-05 CN disclosed
WO-1995004086-A1 PROCESS FOR PRODUCING A PHOTOSENSITIVE OBJECT OPTISCHE WERKE G. RODENSTOCK (DE) 1995-02-09 WO disclosed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP disclosed
WO-1995000867-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed