SCHEMBL1915907

SCHEMBL1915907

CC(C)(C)OC(=O)C[C@H](C(=O)O)C1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
ECE1 P42892 5/20 0.39
FFAR1 O14842 2/20 0.38
PPARG P37231 7/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL7958217 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL23771659 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL7958486 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL22036215 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL22035427 1.00 PPARA (0.40) PPARAECE1FFAR1PPARGDRD2
SCHEMBL23699239 0.82 DRD2 (0.45) PPARAECE1DRD2
SCHEMBL7956194 0.82 CYP1A2 (0.53) PPARAECE1FFAR1PPARG
SCHEMBL7956197 0.82 CYP1A2 (0.53) PPARAECE1FFAR1PPARG
SCHEMBL23751360 0.81 FFAR1 (0.42) PPARAFFAR1PPARG
SCHEMBL22036314 0.81 FFAR1 (0.42) PPARAFFAR1PPARG

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC PPARA 321/4885ECE1 925/4885FFAR1 273/4885

“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.