SCHEMBL5386724

SCHEMBL5386724

CCOC(=O)C(Cc1ccc(C#CCCCCO)cc1)OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
PPARD Q03181 7/20 0.52
PPARG P37231 5/20 0.52
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ACACB O00763 5/20 0.39
ESRRB O95718 1/20 0.37
ESRRA P11474 1/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
TNK2 Q07912 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5400448 1.00 PPARA (0.52) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL5380769 0.96 PPARA (0.53) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL5381855 0.91 PPARA (0.50) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL14366340 0.91 PPARA (0.50) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL5377954 0.88 PPARA (0.52) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL5377206 0.86 PPARA (0.46) PPARAPPARDPPARGACACB
SCHEMBL5385447 0.83 PPARA (0.68) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL5377383 0.83 PPARA (0.46) PPARAPPARDPPARGACACB
SCHEMBL5386177 0.81 CYP4A11 (0.50) PPARAPPARDPPARG
SCHEMBL6574275 0.81 PPARA (0.44) PPARAPPARDPPARGACACB

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 5 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-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 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.