SCHEMBL21945001

SCHEMBL21945001

CC1C=C(c2ccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)SC1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.50
▸ SRD5A1 P18405 2/20 0.43
▸ CYP26A1 O43174 1/20 0.38
▸ RXRA P19793 3/20 0.37
▸ NR1H2 P55055 3/20 0.37
▸ NR1H3 Q13133 3/20 0.37
▸ MAOB P27338 4/20 0.37
▸ MAOA P21397 1/20 0.37
▸ FOXM1 Q08050 1/20 0.37
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ FFAR1 O14842 3/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL21945004 0.89 SRD5A2 (0.43) SRD5A2SRD5A1CYP26A1NR1H2NR1H3
SCHEMBL21944880 0.83 PPARD (0.43) MAOBPPARDPPARAPPARGFFAR1
SCHEMBL21945011 0.72 MAOB (0.50) MAOBMAOAPPARAFFAR1
SCHEMBL6242376 0.72 SRD5A2 (0.71) SRD5A2SRD5A1RXRANR1H2NR1H3
SCHEMBL21944801 0.72 MAOB (0.43) MAOBMAOAFFAR1NR4A2
SCHEMBL12577906 0.70 SRD5A2 (0.62) SRD5A2SRD5A1MAOBMAOAFOXM1
SCHEMBL21945000 0.70 SRD5A2 (0.55) SRD5A2SRD5A1RXRANR1H2NR1H3
SCHEMBL18002480 0.70 SRD5A2 (0.52) SRD5A2SRD5A1RXRANR1H2NR1H3
SCHEMBL6242372 0.68 SRD5A2 (0.68) SRD5A2RXRANR1H2NR1H3PPARD
SCHEMBL12335444 0.68 SRD5A2 (0.65) SRD5A2SRD5A1MAOBMAOA

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SRD5A2 937/4885SRD5A1 764/4885CYP26A1 2329/4885

“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.

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