SCHEMBL16399166

SCHEMBL16399166

COc1cc(C=O)cc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.50
▸ SRD5A1 P18405 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CYP26A1 O43174 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ESRRA P11474 4/20 0.39
▸ FOXM1 Q08050 1/20 0.38
▸ CYP24A1 Q07973 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL16399110 0.89 SRD5A2 (0.53) SRD5A2SRD5A1CYP26A1NPC1RAB9A
SCHEMBL18002464 0.88 SRD5A2 (0.50) SRD5A2SRD5A1CYP26A1NPC1RAB9A
SCHEMBL18002186 0.88 SRD5A2 (0.50) SRD5A2SRD5A1CYP26A1NPC1RAB9A
SCHEMBL18002674 0.86 SRD5A2 (0.48) SRD5A2SRD5A1CYP26A1NPC1RAB9A
SCHEMBL18002335 0.85 SRD5A2 (0.50) SRD5A2SRD5A1CYP26A1NPC1RAB9A
SCHEMBL18002604 0.85 SRD5A2 (0.50) SRD5A2SRD5A1CYP26A1TDP1ALDH1A1
SCHEMBL18003025 0.85 SRD5A2 (0.47) SRD5A2SRD5A1CYP26A1ALDH1A1POLB
SCHEMBL18002526 0.84 SRD5A2 (0.47) SRD5A2SRD5A1CYP26A1FFAR1
SCHEMBL12577906 0.83 SRD5A2 (0.62) SRD5A2SRD5A1RAB9AALDH1A1KDM4E
SCHEMBL16398920 0.82 NPC1 (0.52) SRD5A2SRD5A1TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — 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 (2 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 764/4885PTGS1 2094/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SRD5A2 937/4885SRD5A1 764/4885PTGS1 2094/4885

“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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