SCHEMBL5375372

SCHEMBL5375372

CO[C@@H](Cc1ccc(C#CCCCOc2ccc(C(C)(C)c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.78
PPARA Q07869 9/20 0.78
PPARD Q03181 8/20 0.78
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 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
SCHEMBL22607958 0.90 PPARA (0.91) PPARGPPARAPPARD
SCHEMBL22607960 0.90 PPARA (0.91) PPARGPPARAPPARD
SCHEMBL5377110 0.89 PPARA (0.61) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL6526812 0.88 PPARG (0.73) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL5399900 0.88 PPARG (0.73) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL5380189 0.88 PPARG (0.84) PPARGPPARAPPARD
SCHEMBL5400562 0.88 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5381218 0.88 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5381961 0.88 PPARG (0.84) PPARGPPARAPPARD
SCHEMBL5380178 0.88 PPARG (0.84) PPARGPPARAPPARD

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-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-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
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARA 3/4885PPARD 7/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARG 1/4885PPARA 3/4885PPARD 4/4885

“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.