SCHEMBL3989401

SCHEMBL3989401

CCOC(=O)C(C)(C)Oc1ccc(OCCC2CNC(=O)N2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
FBP1 P09467 7/20 0.46
PPARG P37231 3/20 0.41
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NAAA Q02083 1/20 0.37
ASAH1 Q13510 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
CACNA1F O60840 2/20 0.36
BCHE P06276 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36

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
SCHEMBL3990421 0.88 FBP1 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13792048 0.88 FBP1 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13793137 0.85 NAAA (0.40) PPARAPPARGNAAAASAH1HRH3
SCHEMBL3996518 0.85 PPARG (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13792991 0.84 PPARA (0.51) PPARAPPARG
SCHEMBL3993050 0.84 PPARA (0.44) PPARAPPARGHRH2HRH1NAAA
SCHEMBL3990916 0.84 PPARA (0.51) PPARAPPARG
SCHEMBL3992770 0.82 PPARA (0.42) PPARAPPARGHRH2HRH1NAAA
SCHEMBL13792974 0.81 PPARA (0.39) PPARACYP1A2CYP3A4HTR2AHRH2
SCHEMBL3991062 0.81 PPARA (0.39) PPARACYP1A2CYP3A4HTR2AHRH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20050020652-A1 Peroxisome proliferator activated receptor agonists ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1453811-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-09-08 EP disclosed
WO-2003048130-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-06-12 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 (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-20050020652-A1 Peroxisome proliferator activated receptor agonists PPARA, PPARD, PPARG PPARA 1/4885ABCB11 2329/4885CYP1A2 379/4885

“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.