SCHEMBL3465717

SCHEMBL3465717

O=C1C(=O)C(O)=c2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2=C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCL2 P10415 2/20 0.37
MCL1 Q07820 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL2461980 0.95 APAF1 (0.44) APAF1TDP2CYP1A2BCL2MCL1
SCHEMBL11352933 0.77 APAF1 (0.46) APAF1TDP2CYP1A2ALDH1A1HSD17B10
SCHEMBL3465719 0.77 APAF1 (0.46) APAF1TDP2CYP1A2ALDH1A1HSD17B10
SCHEMBL9654769 0.74 ALDH1A1 (0.37) APAF1TDP2CYP1A2ALDH1A1CYP3A4
SCHEMBL1486165 0.73 CYP1A2 (0.39) CYP1A2ALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL8190848 0.71 APAF1 (0.64) APAF1TDP2CYP1A2ALDH1A1HSD17B10
SCHEMBL244695 0.71 APAF1 (0.50) APAF1TDP2CYP1A2ALDH1A1HSD17B10
Benz(B)Anthracene SCHEMBL3474922 0.71 ALDH1A1 (0.61) CYP1A2ALDH1A1HSD17B10CYP3A4ALOX15
Benz(B)Anthracene SCHEMBL17849077 0.71 ALDH1A1 (0.61) CYP1A2ALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL22634171 0.71 ALDH1A1 (0.61) CYP1A2ALDH1A1HSD17B10CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2199437-B1 Use of an organic semiconductor solution to form oriented polyacene crystals on a substrate ASAHI CHEMICAL IND (JP) 2015-07-29 EP disclosed
EP-1416069-B1 ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURE THEREOF ASAHI CHEMICAL IND (JP) 2010-10-27 EP disclosed
EP-2199437-A2 Organic semiconductor solution Asahi Kasei Kabushiki Kaisha (JP) 2010-06-23 EP disclosed
US-7061010-B2 Organic semiconductor element ASAHI KASEI KABUSHIKI KAISHA (JP) 2006-06-13 US disclosed
US-20050258417-A1 Organic semicondutor element ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-11-24 US disclosed
EP-1416069-A1 ORGANIC SEMICONDUCTOR ELEMENT Asahi Kasei Kabushiki Kaisha (JP) 2004-05-06 EP disclosed