SCHEMBL1976533

SCHEMBL1976533

Cc1c(C)c(C)c2cc3ccccc3cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.50
TDP1 Q9NUW8 2/20 0.50
NQO1 P15559 1/20 0.50
CYP1A2 P05177 7/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
ELANE P08246 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL28542519 0.97 NQO1 (0.48) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL687284 0.94 NQO1 (0.46) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL7501835 0.94 NQO1 (0.46) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL29853846 0.94 CYP2A6 (0.50) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL4642683 0.94 CYP2A6 (0.50) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL164133 0.89 HSD17B10 (0.45) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL29853851 0.88 HSD17B10 (0.54) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL4644690 0.88 HSD17B10 (0.54) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL27947383 0.87 CYP1A2 (0.55) CYP2A6TDP1NQO1CYP1A2TSHR
SCHEMBL488926 0.85 NQO1 (0.40) CYP2A6TDP1NQO1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117393705-A Chemical prelithiation method for preparing organic anode material with high first coulombic efficiency 重庆理工大学 2024-01-12 CN claimed
CN-108047243-A A kind of five butterfly alkene tetracarboxylic acid dianhydride compounds of 2,3,6,7- and its synthetic method 华侨大学 2018-05-18 CN claimed
CN-106800528-A A kind of naphthoquinones and 9,9,10,10 tetramethyl anthracene class electroluminescent organic materials and its preparation method and application 中节能万润股份有限公司 2017-06-06 CN claimed
CN-105037383-A High-purity ptyltetracid dianhydride and synthesis method thereof, and polyimides synthesized on basis of ptyltetracid dianhydride UNIV HUAQIAO 2015-11-11 CN claimed
CN-103265395-B The synthetic method of the adjacent naphthyl anthracene of 2,3,6,7-tetramethyl--9,10- HUAQIAO UNIVERSITY (CN) 2015-08-26 CN claimed
CN-104448311-A Polyimide based on 2,3,6,7-triptycene tetracarboxylic dianhydride and preparation method of polyimide UNIV HUAQIAO 2015-03-25 CN claimed
CN-103265395-A 2, 3, 6, 7-tetramethyl-9,10-o-naphthylanthracene and synthetic method thereof UNIV HUAQIAO 2013-08-28 CN claimed
CN-102617587-A Synthesis method for 2,3,6,7-triptycene tetracarboxylic dianhydride UNIV HUAQIAO 2012-08-01 CN claimed
CN-100456518-C Organic thin film transistor and method for manufacturing the same 3M INNOVATIVE PROPERTIES CO (US) 2009-01-28 CN claimed
CN-1639884-A Organic thin film transistor with improved gate dielectric surface 3M INNOVATIVE PROPERTIES CO (US) 2005-07-13 CN claimed
EP-1481428-A1 ORGANIC THIN FILM TRANSISTOR WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M Innovative Properties Company (US) 2004-12-01 EP 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
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO claimed
CN-117393705-A Chemical prelithiation method for preparing organic anode material with high first coulombic efficiency 重庆理工大学 2024-01-12 CN disclosed
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
CN-106800528-B A kind of naphthoquinones and 9,9,10,10- tetramethyl-anthracene class electroluminescent organic material and its preparation method and application 中节能万润股份有限公司 2019-06-28 CN disclosed
US-20030175551-A1 Surface modified organic thin film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
WO-2003077327-A1 ORGANIC THIN FILM TRANSISTORS WITH MODIFIED SURFACE OF GATE-DIELECTRIC 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-09-18 WO disclosed
WO-1995033745-A9 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY 1996-01-18 WO disclosed