SCHEMBL21188318

SCHEMBL21188318

CCOC(=O)C(C)(C)Oc1ccc(C=O)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.60
PPARA Q07869 4/20 0.55
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
PMP22 Q01453 1/20 0.55
PPARG P37231 2/20 0.47
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
OPRK1 P41145 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
SCHEMBL11782313 0.83 ALDH1A1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL198547 0.82 PPARA (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL21188315 0.82 FBP1 (0.55) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL31117791 0.81 PPARA (0.65) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1712071 0.81 PPARA (0.57) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549344 0.80 PPARA (0.56) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL16585195 0.78 PPARA (0.61) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL31357584 0.78 PPARA (0.61) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL7984744 0.78 PPARA (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL1549149 0.78 PPARA (0.53) FBP1PPARAABCB11CYP1A2CYP3A4

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 2/4885ABCB11 85/4885

“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.