SCHEMBL21944880

SCHEMBL21944880

CC1C=C(c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)SC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ PPARG P37231 1/20 0.42
▸ MAOB P27338 7/20 0.41
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ PLAT P00750 3/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ FFAR4 Q5NUL3 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
SCHEMBL21944801 0.87 MAOB (0.43) MAOBPLATNR4A2FFAR1MRGPRX4
SCHEMBL21945001 0.83 SRD5A2 (0.50) PPARDPPARAPPARGMAOBNR4A2
SCHEMBL21945011 0.81 MAOB (0.50) PPARAMAOBMMEACECPA1
Bromide SCHEMBL28540140 0.74 MAOB (0.58) PPARDPPARAMAOBNR4A2FFAR1
SCHEMBL21945004 0.72 SRD5A2 (0.43) MAOBNR4A2FFAR1
SCHEMBL12584946 0.72 MAOB (0.53) PPARDPPARAMAOBNR4A2
SCHEMBL13960103 0.70 MAOB (0.54) MAOBMMEACECPA1ACE2
SCHEMBL12424195 0.70 MAOB (0.54) MAOBNR4A2
SCHEMBL6690271 0.68 RAB9A (0.54) PPARDPPARAMAOBPLATNR4A2
SCHEMBL21944881 0.68 PPARD (0.46) PPARDPPARAPPARGMAOBNR4A2

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 PPARD 428/4885PPARA 284/4885PPARG 269/4885

“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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