SCHEMBL3994875

SCHEMBL3994875

CCOC(=O)C(C)(C)Oc1ccc(OCCC2CN(Cc3ccc(C)c(C)c3)C(=O)N2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPARG P37231 4/20 0.37
▸ PPARD Q03181 3/20 0.37
▸ KCNA5 P22460 4/20 0.36
▸ FBP1 P09467 3/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL3989426 0.88 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3989276 0.87 PPARA (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3993726 0.84 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL3990294 0.83 PPARG (0.46) PPARAPPARGPPARD
SCHEMBL13792724 0.82 PPARA (0.44) PPARAALDH1A1L3MBTL1PPARGPPARD
SCHEMBL3989499 0.82 PPARA (0.44) PPARAALDH1A1L3MBTL1PPARGPPARD
SCHEMBL3990686 0.81 PPARA (0.40) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13792050 0.81 FBP1 (0.38) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3993897 0.81 FBP1 (0.38) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3996325 0.80 NPBWR1 (0.43) CYP3A4ALDH1A1L3MBTL1KCNA5NPBWR1

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.

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