SCHEMBL4510652

SCHEMBL4510652

c1ccc2c(c1)cc1cccc3c1c2c1cccc2cc4ccccc4c3c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.64
ERBB2 P04626 1/20 0.64
FYN P06241 1/20 0.64
MAOA P21397 1/20 0.64
ACHE P22303 1/20 0.64
AHR P35869 1/20 0.64
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 6/20 0.52
HPGD P15428 4/20 0.52
THRB P10828 1/20 0.52
CES1 P23141 1/20 0.48
HIF1A Q16665 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CYP1B1 Q16678 1/20 0.46
HTR2A P28223 1/20 0.44
NQO2 P16083 3/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL4852517 0.93 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL30622251 0.93 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29539269 0.93 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4855399 0.93 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL466256 0.93 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31037876 0.92 CYP1A2 (0.58) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL5482776 0.91 CYP1A2 (0.61) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4525187 0.90 CYP1A2 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4852473 0.89 CYP1A2 (0.64) CYP1A2ERBB2FYNMAOAACHE
Methyl Alcohol SCHEMBL9845821 0.87 CYP1A2 (0.62) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747287-B1 AROMATIC, POLYCYCLIC SYSTEM CONTAINING AT LEAST ONE TERTIARY AMINE; HIGH DRIVING SPEED AND ON/OFF RATIO NEC CORPORATION (JP) 2004-06-08 US claimed
US-20090001362-A1 Organic Thin Film Transistor and Manufacturing Process the Same NEC CORPORATION (JP) 2009-01-01 US disclosed
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO disclosed
US-6784452-B2 Organic thin film transistor NEC CORPORATION (JP) 2004-08-31 US disclosed
US-6747287-B1 AROMATIC, POLYCYCLIC SYSTEM CONTAINING AT LEAST ONE TERTIARY AMINE; HIGH DRIVING SPEED AND ON/OFF RATIO NEC CORPORATION (JP) 2004-06-08 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
US-6699594-B1 Organic electroluminescent device NEC CORPORATION (JP) 2004-03-02 US disclosed
US-20030111692-A1 Organic thin film transistor NEC CORPORATION (JP) 2003-06-19 US disclosed
US-6465116-B1 8-(N-4-(4-METHYLPHENYLVINYL)PHENYL-N-P-TOLYLAMINO)-16-(N-PHENYL-N-P -TOLYLA MINO)DIBENZO(A,J)PERYLENE THIN FILMS BETWEEN ANODES AND CATHODES, HAVING BRIGHTNESS AND DURABILITY NEC CORPORATION (JP) 2002-10-15 US disclosed
US-4504404-A Lubricant compositions containing chlorinated organic compounds CIBA-GEIGY CORPORATION (US) 1985-03-12 US disclosed
EP-0039085-A1 Process for increasing the solubility of aromatic systems Langhals, Heinz, Dr. (DE) 1981-11-04 EP disclosed
EP-0034274-A2 Process for preparing electrically conductive polyaromatic substances and their use in electrotechnics and in the antistatic equipment of synthetics BASF Aktiengesellschaft (DE) 1981-08-26 EP disclosed
EP-0034273-A2 Process for preparing electrically conductive polyaromatic substances and their use in electrotechnics and in the antistatic equipment of synthetics BASF Aktiengesellschaft (DE) 1981-08-26 EP disclosed
US-3965049-A One-step synthesis of aromatic organic diselenides XEROX CORPORATION (US) 1976-06-22 US disclosed