SCHEMBL2494293

SCHEMBL2494293

CCCCCCCCCCCCc1csc(/C=C/c2cc(CCCCCCCCCCCC)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
CYP3A4 P08684 2/20 0.41
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR2C P28335 1/20 0.40
HSPE1 P61604 1/20 0.40
HIF1A Q16665 1/20 0.40
TST Q16762 1/20 0.40

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
SCHEMBL2494295 1.00 PTGS2 (0.44) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL19513765 0.90 PTGS2 (0.40) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10035776 0.87 TRPM2 (0.40) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL38662398 0.86 PTGS2 (0.42) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10682713 0.86 PTGS2 (0.42) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL820794 0.86 PTGS2 (0.42) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL18825932 0.84 PTGS2 (0.40) PTGS2CYP3A4ESR1ADRA2AADORA3
Iodide SCHEMBL8727898 0.82 KDM4A (0.52) KDM4ELMNATP53
SCHEMBL10871110 0.81 THRA (0.42)
SCHEMBL10871414 0.81 THRA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626375-B1 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-11-22 EP disclosed
EP-2626375-B1 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-11-22 EP disclosed
US-9650461-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-05-16 US disclosed
US-9650461-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-05-16 US disclosed
US-9650461-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-05-16 US disclosed
US-20160075808-A1 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS USINVEST LLC 2016-03-17 US disclosed
US-20160075808-A1 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS USINVEST LLC 2016-03-17 US disclosed
US-9221944-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2015-12-29 US disclosed
US-9221944-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2015-12-29 US disclosed
US-9221944-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2015-12-29 US disclosed
EP-2626375-A1 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2013-08-14 EP disclosed
EP-2626375-A1 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2013-08-14 EP disclosed
EP-2379617-B1 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS BASF SE (DE) 2013-07-31 EP disclosed
US-20120217482-A1 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS POLYERA CORPORATION (US) 2012-08-30 US disclosed
US-20120217482-A1 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS POLYERA CORPORATION (US) 2012-08-30 US disclosed
EP-2379617-A2 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS BASF SE (DE) 2011-10-26 EP disclosed
WO-2010079064-A2 SEMICONDUCTOR MATERIALS PREPARED FROM DITHIENYLVINYLENE COPOLYMERS BASF SE (DE) 2010-07-15 WO disclosed