SCHEMBL21945000

SCHEMBL21945000

Oc1ccc(-c2ccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.55
▸ NR4A2 P43354 2/20 0.40
▸ SRD5A1 P18405 1/20 0.40
▸ HSD17B1 P14061 2/20 0.40
▸ HSD17B2 P37059 2/20 0.40
▸ MAOB P27338 5/20 0.39
▸ NR1H2 P55055 4/20 0.38
▸ NR1H3 Q13133 4/20 0.38
▸ RXRA P19793 3/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL21945003 0.91 SRD5A2 (0.47) SRD5A2SRD5A1HSD17B1HSD17B2MAOB
SCHEMBL18002480 0.83 SRD5A2 (0.52) SRD5A2NR4A2SRD5A1MAOBNR1H2
SCHEMBL21944881 0.80 PPARD (0.46) NR4A2MAOBPPARDPPARAMRGPRX4
SCHEMBL18005377 0.76 SRD5A2 (0.42) SRD5A2NR4A2SRD5A1MAOBNR1H2
SCHEMBL18002342 0.74 SRD5A2 (0.45) SRD5A2SRD5A1HSD17B1HSD17B2MAOB
SCHEMBL6242376 0.74 SRD5A2 (0.71) SRD5A2NR4A2SRD5A1MAOBNR1H2
SCHEMBL12577906 0.72 SRD5A2 (0.62) SRD5A2SRD5A1MAOBMAOA
SCHEMBL12335444 0.72 SRD5A2 (0.65) SRD5A2SRD5A1MAOBMAOA
SCHEMBL6242372 0.72 SRD5A2 (0.68) SRD5A2NR1H2NR1H3RXRAPPARD
SCHEMBL21944798 0.71 NR4A2 (0.45) NR4A2MAOBMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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 937/4885NR4A2 2048/4885SRD5A1 764/4885

“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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