SCHEMBL4966397

SCHEMBL4966397

COc1ccc(OCCC(C)CCCC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
FDPS P14324 2/20 0.48
ALOX5 P09917 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.46
RARB P10826 1/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
GGPS1 O95749 1/20 0.42
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6857008 0.93 TDP1 (0.58) TDP1FDPSALOX5HPGDMAPK1
SCHEMBL16340342 0.93 TDP1 (0.58) TDP1FDPSALOX5HPGDMAPK1
SCHEMBL13251236 0.87 TDP1 (0.55) TDP1HPGDMAPK1RARBEPHX2
SCHEMBL23183616 0.85 RARB (0.57) TDP1HPGDMAPK1RARBEPHX2
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.85 TDP1 (0.68) TDP1HPGDMAPK1EPHX2LMNA
SCHEMBL19549608 0.85 TDP1 (0.50) TDP1FDPSALOX5MAPK1RARB
SCHEMBL15301868 0.85 TDP1 (0.50) TDP1FDPSALOX5MAPK1RARB
SCHEMBL8847266 0.85 TDP1 (0.50) TDP1FDPSALOX5MAPK1RARB
SCHEMBL22282470 0.85 TDP1 (0.50) TDP1FDPSALOX5MAPK1RARB
SCHEMBL2050248 0.85 ALOX5 (0.55) TDP1FDPSALOX5MAPK1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017182422-A1 BLOCK COPOLYMER MICELLES IMEC VZW (BE) 2017-10-26 WO disclosed
CN-100528919-C Poly-phenylacetylene electroluminescent materials with electronic transmission performance and preparing method and use thereof LIANGHENG XU (CN) 2009-08-19 CN disclosed
US-20080269461-A1 Polymeric Carbazole Compounds KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2008-10-30 US disclosed
EP-1966270-A1 POLYMERIC CARBAZOLE COMPOUNDS Koninklijke Philips Electronics N.V. (NL) 2008-09-10 EP disclosed
WO-2007072240-A1 POLYMERIC CARBAZOLE COMPOUNDS KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2007-06-28 WO disclosed
CN-1621489-A Poly-phenylacetylene electroluminescent materials with electronic transmission performance and preparing method and use thereof XU LIANGHENG (CN) 2005-06-01 CN disclosed
EP-1029019-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS COVION ORGANIC SEMICONDUCTORS (DE) 2004-03-03 EP disclosed
US-6638646-B2 Polymerizing one or more monomers containing dihalogen containing substituted biaryls, via a base-induced dehydrohalogenation SEMICONDUCTORS GMBH (DE) 2003-10-28 US disclosed
US-20030088050-A1 Substituted poly(arylenevinylenes), process for their preparation, and their use in electroluminescent elements MERCK PATENT GMBH (DE) 2003-05-08 US disclosed
US-6458909-B1 SOLID-STATE LIGHT SOURCES FOR A SERIES OF APPLICATIONS, PREDOMINANTLY IN THE FIELD OF DISPLAY ELEMENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-20020064680-A1 Substituted poly(arylene vinylenes), method for producing the same, and their use in electroluminescent elements AXIVA GMBH (DE) 2002-05-30 US disclosed
EP-0944663-B1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS CELANESE VENTURES GMBH (DE) 2002-03-27 EP disclosed
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
EP-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 WO disclosed
WO-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed