SCHEMBL31079567

SCHEMBL31079567

C=C1C(=O)O[C@@H](CCCCCCCCCCCCCC(C)=O)[C@H]1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.74
▸ FASN P49327 1/20 0.74
▸ KAT2A Q92830 3/20 0.64
▸ PAOX Q6QHF9 1/20 0.33
▸ ABHD16A O95870 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ CDC25B P30305 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
SCHEMBL30954259 1.00 POLB (0.74) POLBFASNKAT2APAOXABHD16A
SCHEMBL31079521 1.00 POLB (0.74) POLBFASNKAT2APAOXABHD16A
SCHEMBL3007085 0.85 POLB (1.00) POLBFASNKAT2A
SCHEMBL360509 0.85 POLB (1.00) POLBFASNKAT2A
Protolichesterinic Acid SCHEMBL7913878 0.85 POLB (1.00) POLBFASNKAT2A
SCHEMBL7920753 0.85 POLB (1.00) POLBFASNKAT2A
SCHEMBL13193435 0.85 POLB (1.00) POLBFASNKAT2A
SCHEMBL7920757 0.85 POLB (1.00) POLBFASNKAT2A
SCHEMBL17787714 0.85 POLB (1.00) POLBFASNKAT2A
SCHEMBL6428922 0.85 POLB (1.00) POLBFASNKAT2A

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 POLB 3393/4885FASN 499/4885KAT2A 4332/4885

“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.

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