SCHEMBL2823755

SCHEMBL2823755

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CC(=O)OCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.42
PPARD Q03181 8/20 0.42
PPARG P37231 5/20 0.36
GCGR P47871 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
CACNA1H O95180 1/20 0.36
SCN9A Q15858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL2821435 0.90 PPARA (0.53) PPARAPPARDPPARG
SCHEMBL2818531 0.88 PPARD (0.41) PPARAPPARDPPARGGCGRGPR119
SCHEMBL2822928 0.78 PPARA (0.52) PPARAPPARDPPARGGCGR
SCHEMBL2821447 0.73 GCGR (0.36) GCGRGPR119NPC1RAB9A
SCHEMBL1549155 0.69 CYP4F2 (0.47) PPARAPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL12151282 0.68 DRD2 (0.47) PPARAPPARDPPARG
SCHEMBL2823052 0.67 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL2819648 0.67 HDAC1 (0.44) PPARAPPARD
SCHEMBL6583498 0.67 PPARA (0.59) PPARAPPARDPPARGNPC1
SCHEMBL4575333 0.67 PPARA (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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 (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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG PPARA 1/4885PPARD 2/4885PPARG 3/4885

“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.