SCHEMBL6891918

SCHEMBL6891918

COc1ccc2cc3cc4cc5ccc(OC)cc5cc4cc3cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.71
CYP2A6 P11509 2/20 0.71
HSD17B1 P14061 1/20 0.60
HSD17B2 P37059 1/20 0.60
RAB9A P51151 2/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GSTP1 P09211 1/20 0.56
NCF1 P14598 1/20 0.54
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
NQO1 P15559 1/20 0.50
PTGS1 P23219 1/20 0.50

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
SCHEMBL7452675 1.00 CYP1A2 (0.71) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL7456084 1.00 CYP1A2 (0.71) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL2249185 1.00 CYP1A2 (0.71) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL29919511 1.00 CYP1A2 (0.71) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL7451812 1.00 CYP1A2 (0.71) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL29367032 0.94 CYP2A6 (0.80) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL443528 0.94 CYP2A6 (0.80) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL29447161 0.94 CYP1A2 (0.79) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL443070 0.94 CYP1A2 (0.79) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A
SCHEMBL8389417 0.92 CYP1A2 (0.86) CYP1A2CYP2A6HSD17B1HSD17B2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1639884-A Organic thin film transistor with improved gate dielectric surface 3M INNOVATIVE PROPERTIES CO (US) 2005-07-13 CN claimed
US-6768132-B2 MULTILAYER INTEGRATED CIRCUIT; BARRIER DIELECTRIC AND SEMICONDUCTOR 3M INNOVATIVE PROPERTIES COMPANY 2004-07-27 US claimed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US claimed
EP-1163372-A4 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2002-10-02 EP claimed
EP-1163372-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES Princeton Separations (US) 2001-12-19 EP claimed
WO-2000056933-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2000-09-28 WO claimed
EP-1163372-A4 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2002-10-02 EP disclosed
EP-1163372-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES Princeton Separations (US) 2001-12-19 EP disclosed
WO-2000056933-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2000-09-28 WO disclosed