SCHEMBL21188309

SCHEMBL21188309

CCOC(=O)C(C)(C)Oc1ccc(CCC=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 14/20 0.54
▸ PPARA Q07869 4/20 0.46
▸ PPARG P37231 1/20 0.46
▸ ABCB11 O95342 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ OPRK1 P41145 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PPARD Q03181 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
SCHEMBL21018029 0.88 FBP1 (0.57) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL21016882 0.88 FBP1 (0.48) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL6743475 0.85 FBP1 (0.53) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL5186715 0.85 FBP1 (0.53) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL22005942 0.84 FBP1 (0.57) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL5186643 0.84 FFAR4 (0.54) FBP1PPARAPPARGFFAR4
SCHEMBL4681712 0.83 FBP1 (0.56) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL5186522 0.82 FBP1 (0.51) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL4681849 0.82 FBP1 (0.55) FBP1PPARAPPARGABCB11CYP1A2
SCHEMBL21188267 0.82 PPARA (0.61) FBP1PPARAPPARGABCB11CYP1A2

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-20190225597-A1 PYRROLIDINE DERIVATIVES AS PPAR AGONISTS Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-07-25 — — 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-20190225597-A1 PYRROLIDINE DERIVATIVES AS PPAR AGONISTS PPARD, PPARA, PPARG FBP1 1668/4885PPARA 2/4885PPARG 3/4885

“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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