SCHEMBL2729342

SCHEMBL2729342

OC(c1ccsc1)c1csc2c(C(O)c3ccsc3)csc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
HTR1A P08908 2/20 0.30

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
SCHEMBL5104539 0.80 ALOX5 (0.42) ALOX5IDO1TDO2CYP3A4CYP2D6
SCHEMBL23003619 0.73 GABRA1 (0.41) ALOX5IDO1TDO2CYP3A4HTR1A
SCHEMBL10903974 0.72 IDO1 (0.38) ALOX5IDO1TDO2HTR1A
SCHEMBL477486 0.71 IDO1 (0.52) ALOX5IDO1TDO2SLC6A2SLC6A3
SCHEMBL31556324 0.71 CYP3A4 (0.44) ALOX5IDO1TDO2CYP3A4CYP2D6
SCHEMBL7822870 0.71
SCHEMBL18361615 0.69 CYP3A4 (0.46) ALOX5IDO1TDO2CYP3A4CYP2D6
SCHEMBL7320352 0.68 NR3C1 (0.36) ALOX5IDO1TDO2CYP3A4CYP2D6
SCHEMBL20448486 0.68 HTR1A (0.44) ALOX5CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL8193896 0.67 BRAF (0.36) IDO1TDO2CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062152-B2 Organic electronic devices, including organic photovoltaic devices, polymers, and monomers SOLVAY USA, INC. (US) 2015-06-23 US disclosed
US-9062152-B2 Organic electronic devices, including organic photovoltaic devices, polymers, and monomers SOLVAY USA, INC. (US) 2015-06-23 US disclosed
US-9062152-B2 Organic electronic devices, including organic photovoltaic devices, polymers, and monomers SOLVAY USA, INC. (US) 2015-06-23 US disclosed
EP-2632968-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS Plextronics, Inc. (US) 2013-09-04 EP disclosed
US-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. 2012-11-08 US disclosed
US-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. 2012-11-08 US disclosed
US-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. 2012-11-08 US disclosed
WO-2012058209-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. (US) 2012-05-03 WO disclosed
WO-2012058209-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS PLEXTRONICS, INC. (US) 2012-05-03 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 (1 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-20120283377-A1 ORGANIC ELECTRONIC DEVICES, INCLUDING ORGANIC PHOTOVOLTAIC DEVICES, POLYMERS, AND MONOMERS OCIAD2, ETV6, RUVBL1 ALOX5 3917/4885IDO1 1632/4885TDO2 503/4885

“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.