SCHEMBL31079633

SCHEMBL31079633

C=C(C(=O)O)/C(=C\CCCCCCCO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.50
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
TBXAS1 P24557 1/20 0.30

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
SCHEMBL31079543 0.79 EP300 (0.49) EP300GPR84FFAR1FFAR4MAPT
SCHEMBL31079605 0.74 EP300 (0.47) EP300GPR84FFAR1FFAR4MAPT
SCHEMBL9420270 0.74 EP300 (0.50) EP300
Methacrylic Acid SCHEMBL28070838 0.72 EP300 (0.40) EP300GPR84FFAR1FFAR4FNTA
SCHEMBL8518465 0.70 EP300 (0.40) EP300GPR84FFAR1FFAR4FNTA
SCHEMBL3679830 0.69 EP300 (0.45) EP300GPR84FFAR1FFAR4FNTA
SCHEMBL21065579 0.69 EP300 (0.45) EP300GPR84FFAR1FFAR4FNTA
SCHEMBL157091 0.69 EP300 (0.45) EP300GPR84FFAR1FFAR4FNTA
SCHEMBL21065587 0.69 EP300 (0.45) EP300GPR84FFAR1FFAR4FNTA
SCHEMBL22607803 0.69 EP300 (0.45) EP300GPR84FFAR1FFAR4FNTA

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 3264/4885GPR84 4585/4885FFAR1 2394/4885

“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.