SCHEMBL721971

SCHEMBL721971

CCCCCCc1cscc1OC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.50
PTGS2 P35354 6/20 0.50
HTR2A P28223 1/20 0.47
PPARA Q07869 1/20 0.45
GLS2 Q9UI32 1/20 0.39

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
SCHEMBL9640505 1.00 ALOX5 (0.50) ALOX5PTGS2HTR2APPARAGLS2
SCHEMBL19304408 1.00 ALOX5 (0.50) ALOX5PTGS2HTR2APPARAGLS2
SCHEMBL9444539 1.00 ALOX5 (0.50) ALOX5PTGS2HTR2APPARAGLS2
SCHEMBL9298398 0.92 ALOX5 (0.42) ALOX5PTGS2HTR2APPARA
SCHEMBL8516248 0.84 HMGCR (0.47) ALOX5PTGS2HTR2A
SCHEMBL23317299 0.84 ALOX5 (0.38) ALOX5PTGS2HTR2APPARA
SCHEMBL9642087 0.84 TSHR (0.39) ALOX5PTGS2HTR2A
SCHEMBL721811 0.84 ALOX5 (0.38) ALOX5PTGS2HTR2A
SCHEMBL2745239 0.82 LIPG (0.45) ALOX5PTGS2HTR2A
SCHEMBL2745125 0.82 LIPG (0.45) ALOX5PTGS2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120292577-A1 REGIOREGULAR POLYTHIOPHENE AND PROCESS FOR PRODUCTION THEREOF KURARAY CO., LTD. (JP) 2012-11-22 US disclosed
US-20120292577-A1 REGIOREGULAR POLYTHIOPHENE AND PROCESS FOR PRODUCTION THEREOF KURARAY CO., LTD. (JP) 2012-11-22 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US 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-20120292577-A1 REGIOREGULAR POLYTHIOPHENE AND PROCESS FOR PRODUCTION THEREOF NTRK1, ETV1, EPB41 ALOX5 1589/4885PTGS2 1322/4885HTR2A 4542/4885

“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.