SCHEMBL31079543

SCHEMBL31079543

C=C(C(=O)O)/C(=C\CCCCCC(C)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.49
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
FFAR1 O14842 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
PPARG P37231 2/20 0.31
GPR132 Q9UNW8 1/20 0.31

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
SCHEMBL31079605 0.82 EP300 (0.47) EP300MAPTALDH1A1CYP3A4FFAR1
SCHEMBL31079633 0.79 EP300 (0.50) EP300MAPTFFAR1FFAR4GPR84
SCHEMBL649786 0.79 MAPT (0.47) EP300MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7543887 0.75 ALDH1A1 (0.44) EP300MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7543892 0.75 ALDH1A1 (0.44) EP300MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL9420270 0.72 EP300 (0.50) EP300
SCHEMBL9420268 0.72 EP300 (0.50) EP300
SCHEMBL29199613 0.72 ALDH1A1 (0.43) EP300MAPTALDH1A1CYP3A4PPARG
SCHEMBL8952244 0.70 ALDH1A1 (0.44) MAPTALDH1A1
SCHEMBL4885823 0.69 CD81 (0.38) EP300MAPTALDH1A1PPARG

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-20240341301-A1 ITACONATE AND DERIVATIVES THEREOF FOR THE PROTECTION OF CELLS, TISSUES, AND ORGANS UNIV MICHIGAN REGENTS (US) 2024-10-17 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-20240341301-A1 ITACONATE AND DERIVATIVES THEREOF FOR THE PROTECTION OF CELLS, TISSUES, AND ORGANS TNNI3, ALDH2, ALDH5A1 EP300 3264/4885MAPT 2430/4885ALDH1A1 54/4885

“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.