SCHEMBL4867512

SCHEMBL4867512

[c]1cccc2c1-c1cc3c(cc1CC2)-c1ccccc1C3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SRD5A2 P31213 2/20 0.38
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 3/20 0.36
MAOA P21397 2/20 0.36
SRD5A1 P18405 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
ADRA2A P08913 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PGR P06401 2/20 0.35
HSD17B10 Q99714 3/20 0.34

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
SCHEMBL4822661 0.92 SRD5A1 (0.41) KDM4ELMNAALDH1A1NPC1HPGD
SCHEMBL5357317 0.80 RAB9A (0.55) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL23194 0.79 MAOA (0.46) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL4824234 0.78 MAPT (0.46) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL18582934 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL5058433 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL5016641 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL30912172 0.76 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL217954 0.75 TSHR (0.38) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL25189754 0.73 MAOA (0.50) SMN1; SMN2KDM4ELMNAALDH1A1NPC1

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 18 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-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 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