SCHEMBL4455480

SCHEMBL4455480

CCCCCCCCc1c2c(c(CCCCCCCC)c(CCCCCCCC)c1CCCCCCCC)-c1ccc3c(c1=C2)=Cc1ccccc1-3

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
GPR3 P46089 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CNR1 P21554 3/20 0.34
GCGR P47871 3/20 0.32
SETD7 Q8WTS6 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
Dipyridyl SCHEMBL6225978 0.90 CYP1A2 (0.33)
SCHEMBL2961893 0.77 NR1H2 (0.39) PTPN1GPR3NR1H2NR1H3CNR1
SCHEMBL2969658 0.76 GCGR (0.39) PTPN1GPR3NR1H2NR1H3CNR1
SCHEMBL6027611 0.74 NR1H2 (0.34) PTPN1NR1H2NR1H3CNR1
SCHEMBL2870398 0.71 SETD7 (0.35) PTPN1NR1H2NR1H3GCGRSETD7
SCHEMBL9804300 0.71 GCGR (0.43) PTPN1GPR3NR1H2NR1H3CNR1
SCHEMBL5147390 0.68 ALDH1A1 (0.30)
SCHEMBL1327538 0.68 CRHR1 (0.30)
SCHEMBL17102360 0.67 CDC25B (0.35) PTPN1
SCHEMBL10606408 0.67 PTPN1 (0.60) PTPN1GPR3NR1H2NR1H3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8860007-B2 Aryl-substituted polyindenofluorenes for use in organic electroluminiscent devices MERCK PATENT GMBH (DE) 2014-10-14 US disclosed
EP-1562997-B1 ARYL-SUBSTITUTED POLYINDENOFLUORENES FOR USE IN ORGANIC ELECTROLUMINISCENT DEVICES MERCK PATENT GMBH (DE) 2009-09-23 EP disclosed
US-20060046092-A1 Aryl-substituted polyindenofluorenes for use in organic electroluminiscent devices COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-03-02 US disclosed
US-20050221118-A1 Electroluminescent device KOINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2005-10-06 US disclosed
EP-1562997-A1 ARYL-SUBSTITUTED POLYINDENOFLUORENES FOR USE IN ORGANIC ELECTROLUMINISCENT DEVICES Covion Organic Semiconductors GmbH (DE) 2005-08-17 EP disclosed
EP-1514315-A2 ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 2005-03-16 EP disclosed
WO-2004041901-A1 ARYL-SUBSTITUTED POLYINDENOFLUORENES FOR USE IN ORGANIC ELECTROLUMINISCENT DEVICES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-05-21 WO disclosed
WO-2003103067-A2 ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2003-12-11 WO disclosed