SCHEMBL31079740

SCHEMBL31079740

C=C(C(=O)O)[C@H](CCCCC(C)=O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.38
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR84 Q9NQS5 3/20 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
SCHEMBL28745708 0.80 GPR84 (0.50) FFAR1FFAR4GPR84
SCHEMBL31079632 0.79 LMNA (0.46) ALDH1A1LMNA
SCHEMBL31079601 0.79 LMNA (0.46) ALDH1A1LMNA
SCHEMBL9227679 0.78 GPR84 (0.53) FFAR1FFAR4GPR84
SCHEMBL584465 0.78 GPR84 (0.53) FFAR1FFAR4GPR84
SCHEMBL2761229 0.78 GPR84 (0.53) FFAR1FFAR4GPR84
SCHEMBL9234533 0.78 GPR84 (0.53) FFAR1FFAR4GPR84
SCHEMBL9233424 0.78 GPR84 (0.53) FFAR1FFAR4GPR84
Hexylitaconic Acid SCHEMBL9231241 0.78 GPR84 (0.53) FFAR1FFAR4GPR84
SCHEMBL2369792 0.78 GPR84 (0.53) FFAR1FFAR4GPR84

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 PAOX 1797/4885LTA4H 782/4885ALDH1A1 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.