SCHEMBL686340

SCHEMBL686340

Cc1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.61
CYP2A6 P11509 6/20 0.61
TSHR P16473 4/20 0.61
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 3/20 0.44
CYP1B1 Q16678 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NQO1 P15559 1/20 0.39
FYN P06241 2/20 0.39
ACHE P22303 2/20 0.39
AHR P35869 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL9699573 1.00 CYP1A2 (0.61) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29726949 0.98 CYP1A2 (0.64) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL460085 0.98 CYP1A2 (0.64) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL28539710 0.96 CYP1A2 (0.61) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Boric Acid SCHEMBL28184389 0.90 CYP1A2 (0.55) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL15412757 0.86 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29060624 0.85 CYP1A2 (0.50) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL28412917 0.85 CYP1A2 (0.59) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Fluorene SCHEMBL28279465 0.84 CYP1A2 (0.48) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL164132 0.83 CYP1A2 (0.52) CYP1A2CYP2A6TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582506-A Substituted pentacene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2005-02-16 CN claimed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP claimed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO claimed
CN-108129249-A The synthetic method of pentacene and its derivative 武汉理工大学 2018-06-08 CN disclosed
EP-1724028-B1 METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND ASAHI CHEMICAL IND (JP) 2012-02-29 EP disclosed
CN-102194996-A Thin film transistor and electronic device SONY CORP 2011-09-21 CN disclosed
CN-1929927-B Condensed polycyclic aromatic compound thin film and method for producing condensed polycyclic aromatic compound thin film ASAHI KASEI FIBERS CORPERATION 2011-06-15 CN disclosed
US-7595093-B2 Condensed polycyclic aromatic compound thin film and method for preparing condensed polycyclic aromatic compound thin film ASAHI KASEI CORPORATION (JP) 2009-09-29 US disclosed
CN-101412721-A 6,13-substituted pentacene and derivatives thereof, as well as preparation UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN disclosed
CN-101412651-A Pentacenes and derivatives thereof, as well as thereof UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN disclosed
CN-100456518-C Organic thin film transistor and method for manufacturing the same 3M INNOVATIVE PROPERTIES CO (US) 2009-01-28 CN disclosed
CN-1929927-A Condensed polycyclic aromatic compound thin film and method for producing condensed polycyclic aromatic compound thin film ASAHI CHEMICAL IND (JP) 2007-03-14 CN disclosed
EP-1724028-A1 THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND, AND METHOD FOR PREPARING THIN FILM OF CONDENSED POLYCYCLC AROMATIC COMPOUND Asahi Kasei Kabushiki Kaisha, Ltd. (JP) 2006-11-22 EP disclosed
CN-1639884-A Organic thin film transistor with improved gate dielectric surface 3M INNOVATIVE PROPERTIES CO (US) 2005-07-13 CN disclosed
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN disclosed
CN-1582506-A Substituted pentacene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2005-02-16 CN disclosed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed