SCHEMBL4822665

SCHEMBL4822665

[C]1Cc2cc3c(cc2-c2ccccc21)CCc1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.41
SRD5A2 P31213 1/20 0.41
CES1 P23141 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
SETD7 Q8WTS6 1/20 0.33
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPK14 Q16539 1/20 0.32
NOTUM Q6P988 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7548244 0.82 MAOA (0.37) CES1RAB9ANPC1CYP2A6MAOA
SCHEMBL7548249 0.82 MAOA (0.37) CES1RAB9ANPC1CYP2A6MAOA
SCHEMBL4818156 0.80 CES1 (0.56) SRD5A1SRD5A2CES1RAB9ANPC1
SCHEMBL2285719 0.75 CES1 (0.41) SRD5A1SRD5A2CES1RAB9ANPC1
SCHEMBL5357317 0.72 RAB9A (0.55) SRD5A1SRD5A2CES1RAB9ANPC1
SCHEMBL2952083 0.72 MAOA (0.44) SRD5A1SRD5A2CES1L3MBTL1DRD1
SCHEMBL10348692 0.71 TSHR (0.50) SRD5A1SRD5A2CES1RAB9ANPC1
Dihydrophenanthrene SCHEMBL29404495 0.71 CES1 (0.68) SRD5A1SRD5A2CES1RAB9ANPC1
Dihydrophenanthrene SCHEMBL155991 0.71 CES1 (0.68) SRD5A1SRD5A2CES1RAB9ANPC1
Dihydrophenanthrene SCHEMBL30297028 0.71 CES1 (0.68) SRD5A1SRD5A2CES1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US claimed
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US disclosed
US-20070107835-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT DYES AND COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2007-05-17 US disclosed
US-7192657-B2 Ethynyl containing electron transport dyes and compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-03-20 US disclosed
US-7094902-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-22 US disclosed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 US disclosed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
EP-1613609-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT AGENTS AND THEIR USE IN ORGANIC LUMINESCENT DEVICES 3M Innovative Properties Company (US) 2006-01-11 EP disclosed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO disclosed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
WO-2004096783-A1 ETHYNYL CONTAINING ELECTRON TRANSPORT AGENTS AND THEIR USE IN ORGANIC LUMINESCENT DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
US-20040214037-A1 Ethynyl containing electron transport dyes and compositions 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed