SCHEMBL5384076

SCHEMBL5384076

COc1cc(C[C@H](OC)C(=O)O)ccc1OCCCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.80
PPARD Q03181 15/20 0.80
PPARG P37231 10/20 0.80
MMP1 P03956 1/20 0.54
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 0.44

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
SCHEMBL5377128 1.00 PPARA (0.80) PPARAPPARDPPARGMMP1MAPT
SCHEMBL14560846 0.92 PPARA (0.67) PPARAPPARDPPARGMMP1MAPT
SCHEMBL5383559 0.89 PPARD (1.00) PPARAPPARDPPARGMMP1MAPT
SCHEMBL5377447 0.89 PPARD (1.00) PPARAPPARDPPARGMMP1MAPT
SCHEMBL5382491 0.89 PPARA (0.76) PPARAPPARDPPARGFFAR1
SCHEMBL5377956 0.89 PPARA (0.76) PPARAPPARDPPARGFFAR1
SCHEMBL5381577 0.85 PPARG (0.82) PPARAPPARDPPARGMMP1MAPT
SCHEMBL14366511 0.85 PPARG (0.82) PPARAPPARDPPARGMMP1MAPT
SCHEMBL5377069 0.85 PPARA (0.69) PPARAPPARDPPARG
SCHEMBL14392125 0.83 PPARA (0.67) PPARAPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US claimed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US claimed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP claimed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO claimed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARA 3/4885PPARD 7/4885PPARG 2/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARA 3/4885PPARD 4/4885PPARG 1/4885

“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.