SCHEMBL4811729

SCHEMBL4811729

COC(Cc1ccc(O)cc1)C(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.55
PPARG P37231 10/20 0.55
PPARD Q03181 5/20 0.55
SLC7A5 Q01650 1/20 0.53
SRR Q9GZT4 4/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
PSAT1 Q9Y617 2/20 0.49
LDHA P00338 1/20 0.47

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
SCHEMBL5028785 1.00 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL4811711 1.00 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL3466702 0.98 PPARA (0.56) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL4451311 0.98 PPARA (0.56) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL4941128 0.98 PPARA (0.56) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL5607096 0.96 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL5606722 0.96 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR
Rubidium SCHEMBL5607497 0.96 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL5606989 0.96 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR
SCHEMBL5607495 0.96 PPARA (0.55) PPARAPPARGPPARDSLC7A5SRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429676-B2 Process for preparing enantiomerically enriched 2-alkoxy-3-phenylpropionic acids SALTIGO GMBH (DE) 2008-09-30 US disclosed
US-7321056-B2 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1697306-B1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-20070149804-A1 Process for preparing enantiomerically enriched 2-alkoxy-3-phenylpropionic acids SALTIGO GMBH (DE) 2007-06-28 US disclosed
CN-1989095-A Resolution of p-hydroxyphenyl-2-alkoxypropionic acids DEGUSSA (DE) 2007-06-27 CN disclosed
CN-1986516-A Process for preparing enantiomerically enriched 2-alkoxy-3-phenylpropionic acids SALTIGO GMBH (DE) 2007-06-27 CN disclosed
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1697306-A1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005061441-A1 SELECTIVE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-07 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 (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-20070149804-A1 Process for preparing enantiomerically enriched 2-alkoxy-3-phenylpropionic acids HPD, PAH, APEH PPARA 143/4885PPARG 802/4885PPARD 527/4885
US-20070066683-A1 Selective peroxisome proliferator activated receptor modulators PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885

“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.