SCHEMBL4692295

SCHEMBL4692295

CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 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 7/20 0.53
PPARD Q03181 2/20 0.48
PPARG P37231 3/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CNR2 P34972 1/20 0.43
OPRK1 P41145 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL20594079 0.84 EPHX2 (0.47) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549698 0.83 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14468109 0.83 PPARA (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.82 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.82 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL11180679 0.81 PPARA (0.97) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11787498 0.81 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7979408 0.81 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL199420 0.81 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9700152 0.80 FBP1 (0.54) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199599-B Method for preparing aryl nitrile compound 江苏师范大学 2024-11-15 CN disclosed
CN-116199599-A Method for preparing aryl nitrile compound 江苏师范大学 2023-06-02 CN disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 US disclosed
US-7157479-B2 Oxazol/thiazol-derivatives activators of the hPPAR-alpha receptor GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
US-7157479-B2 Oxazol/thiazol-derivatives activators of the hPPAR-alpha receptor GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1685113-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-02 EP disclosed
EP-1680410-A1 THIAZOLE-2-CARBOXAMIDE DERIVATIVES FOR USE AS HPPAR AGONISTS IN THE TREATMENT OF I.A. DYSLIPIDEMIA SMITHKLINE BEECHAM CORPORATION (US) 2006-07-19 EP disclosed
US-20060009471-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-01-12 US disclosed
WO-2006002349-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO disclosed
WO-2005049578-A1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-02 WO disclosed
WO-2005037804-A1 THIAZOLE-2-CARBOXAMIDE DERIVATIVES FOR USE AS HPPAR AGONISTS IN THE TREATMENT OF I.A. DYSLIPIDEMIA SMITHKLINE BEECHAM CORPORATION (US) 2005-04-28 WO disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 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 (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-20060009471-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PPARA 340/4885ABCB11 150/4885CYP1A2 174/4885
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM PPARA 2865/4885ABCB11 917/4885CYP1A2 2982/4885

“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.