SCHEMBL2397308

SCHEMBL2397308

Cc1ccc(CC(CC=O)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
MME P08473 3/20 0.45
CPA1 P15085 2/20 0.43
CPA3 P15088 2/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14571474 0.87 MME (0.47) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL7378715 0.85 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL27719461 0.85 CYP1A2 (0.47) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL2028390 0.84 SLC7A5 (0.53) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL2396464 0.84 CYP1A2 (0.70) CYP1A2MMECPA1CPA3FOLH1
SCHEMBL7436701 0.83 CYP1A2 (0.57) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7436695 0.83 CYP1A2 (0.57) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1915415 0.82 LDHA (0.63) CYP1A2PPARGPPARAKMT2A
SCHEMBL6790718 0.81 GRIK1 (0.45) CYP1A2MMEPPARGPPARAMEN1
SCHEMBL11529738 0.80 CYP1A2 (0.59) CYP1A2CPA1CPA3PPARGPPARA

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CYP1A2 180/4885MME 1287/4885CPA1 953/4885

“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.