SCHEMBL1777341

SCHEMBL1777341

C#Cc1cc(OCCCCCCCCCC)c(C#C)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.43
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
AR P10275 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
SRC P12931 1/20 0.39
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL2832284 0.93 ALDH1A1 (0.44) SMPD1TRPV1ALDH1A1HPGDCHUK
SCHEMBL766704 0.93 ALDH1A1 (0.44) SMPD1TRPV1ALDH1A1HPGDCHUK
SCHEMBL3768573 0.93 ALDH1A1 (0.44) SMPD1TRPV1ALDH1A1HPGDCHUK
SCHEMBL3267005 0.93 ALDH1A1 (0.44) SMPD1TRPV1ALDH1A1HPGDCHUK
SCHEMBL19759295 0.88 SMPD1 (0.42) SMPD1TRPV1ALDH1A1HPGDTHRA
SCHEMBL13171445 0.85 ALDH1A1 (0.40) SMPD1ALDH1A1HPGDTHRATHRB
SCHEMBL29353206 0.80 ALDH1A1 (0.39) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL1053468 0.78 P2RX3 (0.43) ALDH1A1AR
SCHEMBL2851634 0.78 ALDH1A1 (0.48) SMPD1ALDH1A1HPGDS1PR3CHUK
SCHEMBL28041717 0.78 ALDH1A1 (0.45) ALDH1A1HPGDCHUKDAPK3JAK2

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-8465678-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-18 US disclosed
US-8198096-B2 Sensor for detection of chemical warfare agents and explosives; polyacetylenes, polyarylenevinylenes; polymers contain hexafluoroisopropanol substituent MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20110175035-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-21 US disclosed
US-7943062-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-17 US disclosed
US-20100213451-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-08-26 US disclosed
US-7662309-B2 increased luminescent lifetimes, quantum yields and amplified emissions; polyacetylenes, polyarylenevinylenes; use in field effect transistors, detection of chemical warfare agents and explosives; solvent resistance, heat resistance MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-16 US disclosed
EP-1281744-B1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INST TECHNOLOGY (US) 2008-09-24 EP disclosed
US-7393503-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-01 US disclosed
WO-2008039529-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-03 WO disclosed
US-7208122-B2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-04-24 US disclosed
US-20070081921-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-04-12 US disclosed
US-20060120917-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-06-08 US disclosed
US-20060120923-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2006-06-08 US disclosed
EP-1080162-B1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INST TECHNOLOGY (US) 2004-03-10 EP disclosed
US-20030178607-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-09-25 US disclosed
EP-1281744-A2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-02-05 EP disclosed
EP-1080162-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-07 EP disclosed
WO-1999057222-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-11-11 WO disclosed