SCHEMBL18002002

SCHEMBL18002002

O=Cc1ccc(-c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MAOB P27338 7/20 0.43
PLAT P00750 2/20 0.43
NR4A2 P43354 2/20 0.43
PPARG P37231 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
ADAM17 P78536 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
SCHEMBL18002385 0.91 MAPT (0.46) POLBMAPTMAOBPLATNR4A2
SCHEMBL18002480 0.81 SRD5A2 (0.52) POLBMAPTPPARDPPARAMAOB
SCHEMBL21944881 0.81 PPARD (0.46) POLBMAPTPPARDPPARAMAOB
SCHEMBL28017853 0.79 NR4A2 (0.63) POLBMAPTMAOBNR4A2
SCHEMBL18002479 0.79 MAOB (0.49) PPARAMAOBNR4A2
SCHEMBL6690271 0.77 RAB9A (0.54) POLBMAPTPPARDPPARAMAOB
SCHEMBL2241857 0.77 PRF1 (0.55) MAPT
Bromide SCHEMBL28540140 0.75 MAOB (0.58) PPARDPPARAMAOBNR4A2FFAR1
SCHEMBL1134037 0.73 ERCC5 (0.49) MAPT
SCHEMBL15009636 0.73 APP (0.50) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 POLB 539/4885MAPT 2196/4885PPARD 428/4885

“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.