SCHEMBL1779822

SCHEMBL1779822

CCOc1cc2c3c(c4cc(OCC)c(OCC)cc4c2cc1OCC)C(=O)C=CC3=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 8/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.37
ENPP1 P22413 1/20 0.37
MAPK1 P28482 1/20 0.36
TOP1 P11387 2/20 0.36
CYP2A6 P11509 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2614744 0.82 TSHR (0.48) TSHRCYP3A4PDE3BPDE3ALMNA
SCHEMBL1777371 0.80 CDC25A (0.42) CYP3A4PDE3BPDE3ALMNAALDH1A1
SCHEMBL24194104 0.78 PIM1 (0.43) TSHRCYP3A4LMNAALDH1A1KDM4E
SCHEMBL12627598 0.73 ALDH1A1 (0.46) TSHRCYP3A4PDE3BPDE3ALMNA
SCHEMBL11491934 0.71 TSHR (0.58) TSHRCYP3A4LMNAALDH1A1ACHE
SCHEMBL24194098 0.69 TOP1 (0.66) CYP3A4LMNAALDH1A1KDM4EHSD17B10
SCHEMBL30574283 0.69 TOP1 (0.66) CYP3A4LMNAALDH1A1KDM4EHSD17B10
SCHEMBL21796065 0.67 CDC25B (0.41) TSHRCYP3A4LMNAALDH1A1ACHE
SCHEMBL28060770 0.67 LMNA (0.47) TSHRCYP3A4LMNAALDH1A1KDM4E
SCHEMBL20705772 0.67 ACHE (0.39) TSHRCYP3A4PDE3BPDE3ALMNA

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