SCHEMBL21188250

SCHEMBL21188250

CCOC(=O)C(C)(C)Oc1ccc(C)cc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.53
PPARA Q07869 3/20 0.49
CYP1A2 P05177 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
PPARG P37231 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10207532 0.88 PPARA (0.52) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL1417534 0.88 FBP1 (0.62) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL3904657 0.87 FBP1 (0.52) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL12860025 0.86 FBP1 (0.51) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL2824290 0.86 PPARA (0.61) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL3905611 0.85 PPARA (0.52) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL5476491 0.83 FBP1 (0.53) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL7974421 0.83 FBP1 (0.50) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL21188249 0.82 FBP1 (0.51) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL9034864 0.82 PPARA (0.49) FBP1PPARACYP1A2ABCB11CYP3A4

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 2/4885CYP1A2 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.