SCHEMBL2591087

SCHEMBL2591087

O=Cc1ccc(-c2ccc(-c3ccc(I)s3)s2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
APP P05067 1/20 0.47
CYP2A6 P11509 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PRF1 P14222 1/20 0.36

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
SCHEMBL12180779 1.00 DPP4 (0.56) DPP4APPCYP2A6CYP2E1CYP3A4
SCHEMBL2592381 0.98 DPP4 (0.53) DPP4APPCYP2A6CYP2E1CYP3A4
SCHEMBL607254 0.87 DPP4 (0.69) DPP4APPCYP2A6CYP2E1CYP3A4
SCHEMBL2014710 0.84
SCHEMBL278904 0.84 DPP4 (0.65) DPP4APPCYP2A6CYP2E1CYP3A4
SCHEMBL16140264 0.80 DPP4 (0.62) DPP4APPCYP2A6CYP2E1CYP3A4
SCHEMBL498510 0.79 APP (0.33) APPMAPTKDM4E
SCHEMBL21156754 0.79 APP (0.33) APPMAPTKDM4E
SCHEMBL2590561 0.76
SCHEMBL16574341 0.76 DPP4 (0.45) DPP4APPCYP2A6CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9147848-B2 Low bandgap dicyanovinyl and tricyanovinyl oligothiophenes for solar cell applications NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (HK) 2015-09-29 US disclosed
US-20150141664-A1 LOW BANDGAP DICYANOVINYL AND TRICYANOVINYL OLIGOTHIOPHENES FOR SOLAR CELL APPLICATIONS NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (HK) 2015-05-21 US disclosed
US-8975419-B2 Low bandgap dicyanovinyl and tricyanovinyl oligothiophenes for solar cell applications NANO AND ADVANCED MATERIALS INSTITUTE LIMITED (HK) 2015-03-10 US disclosed
US-20140005411-A1 LOW BANDGAP DICYANOVINYL AND TRICYANOVINYL OLIGOTHIOPHENES FOR SOLAR CELL APPLICATIONS NANO AND ADVANCED MATERIALS INSTITUTE LIMITE (HK) 2014-01-02 US disclosed
EP-2566848-A1 IMPROVED OLIGOTHIOPHENES Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-13 EP disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 WO disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 WO disclosed
WO-2010132952-A1 OLIGOTHIOPHENES AND USE THEREOF IN DYE-SENSITISED SOLAR CELLS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150141664-A1 LOW BANDGAP DICYANOVINYL AND TRICYANOVINYL OLIGOTHIOPHENES FOR SOLAR CELL APPLICATIONS DSG1, CDC73, CDC23 DPP4 1416/4885APP 2721/4885CYP2A6 3487/4885
US-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 DPP4 4832/4885APP 2811/4885CYP2A6 416/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.