SCHEMBL5476491

SCHEMBL5476491

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 12/20 0.53
▸ PPARA Q07869 3/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ PPARG P37231 2/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL1549980 0.86 FBP1 (0.68) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5483113 0.85 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL4682766 0.84 FBP1 (0.69) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL29238993 0.84 ALDH1A1 (0.54) FBP1TSHRALDH1A1POLBHPGD
SCHEMBL6091768 0.84 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5605607 0.84 ALDH1A1 (0.56) FBP1TSHRALDH1A1POLBHPGD
SCHEMBL1417534 0.83 FBP1 (0.62) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL21188250 0.83 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL21188249 0.83 FBP1 (0.51) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3904657 0.82 FBP1 (0.52) 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 5 patents. 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
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 — — US disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 — — US disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 — — US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 — — EP 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 (2 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
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD FBP1 1961/4885PPARA 1/4885ABCB11 798/4885

“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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