SCHEMBL1549980

SCHEMBL1549980

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.68
PPARA Q07869 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
ALDH1A1 P00352 4/20 0.44
PPARG P37231 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6658160 0.89 FBP1 (0.56) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5483113 0.88 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL21188516 0.88 FBP1 (0.67) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5605607 0.86 ALDH1A1 (0.56) FBP1TSHRALDH1A1POLB
SCHEMBL6091768 0.86 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL29238993 0.86 ALDH1A1 (0.54) FBP1TSHRALDH1A1POLB
SCHEMBL4682766 0.86 FBP1 (0.69) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5476491 0.86 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL28657507 0.86 FBP1 (0.51) FBP1CYP1A2TSHRALDH1A1POLB
SCHEMBL1549019 0.85 FBP1 (0.64) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3486231-B1 PYRROLIDINE DERIVATIVE SERVING AS PPAR AGONIST GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2020-05-20 EP disclosed
US-20190225597-A1 PYRROLIDINE DERIVATIVES AS PPAR AGONISTS Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-07-25 US disclosed
EP-3486231-A1 PYRROLIDINE DERIVATIVE SERVING AS PPAR AGONIST Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-22 EP disclosed
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-20060074111-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US disclosed
WO-2005049578-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-02 WO disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
EP-1513795-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO disclosed
WO-2004000762-A2 PROPIONIC ACID DERIVATIVES AND THEIR USE AS HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO 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 (5 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG FBP1 1195/4885PPARA 2/4885ABCB11 1315/4885
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA FBP1 393/4885PPARA 54/4885ABCB11 18/4885
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG FBP1 1895/4885PPARA 2/4885ABCB11 337/4885
US-20060074111-A1 Chemical compounds HDAC3, HAT1, H1-3 FBP1 728/4885PPARA 2913/4885ABCB11 300/4885
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.