SCHEMBL21188244

SCHEMBL21188244

CCOC(=O)C(C)(C)Oc1ccc(CC=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ CYP1A2 P05177 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ HTR2A P28223 1/20 0.66
▸ PMP22 Q01453 1/20 0.66
▸ FBP1 P09467 10/20 0.56
▸ PPARG P37231 4/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL21188267 0.87 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13763797 0.86 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3291229 0.84 PPARA (0.69) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3900554 0.83 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL814688 0.83 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549122 0.83 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21188241 0.83 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3943535 0.82 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.82 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.82 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR

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 PPARA 2/4885ABCB11 85/4885CYP1A2 1295/4885

“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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