SCHEMBL31079658

SCHEMBL31079658

C=C(C(=O)OC)C(CCCCCCO)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACHE P22303 6/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
ABCB1 P08183 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 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
SCHEMBL29825333 0.87 ZDHHC7 (0.38) ZDHHC7CA1CA2ACHECYP4F2
SCHEMBL16547562 0.85 ZDHHC7 (0.37) ZDHHC7CA1CA2ALDH1A1ABCB1
SCHEMBL3016489 0.84 ZDHHC7 (0.46) ZDHHC7CA1CA2ACHECYP4F2
SCHEMBL1010540 0.84 ZDHHC7 (0.46) ZDHHC7CA1CA2ACHECYP4F2
SCHEMBL31079577 0.83 ZDHHC7 (0.34) ZDHHC7CA1CA2ALDH1A1ABCB1
SCHEMBL28156113 0.79 GPR84 (0.36) ZDHHC7ALDH1A1ACHECYP4F2CYP4A11
SCHEMBL27614024 0.79 GPR84 (0.36) ZDHHC7ALDH1A1ACHECYP4F2CYP4A11
SCHEMBL28290657 0.79 GPR84 (0.36) ZDHHC7ALDH1A1ACHECYP4F2CYP4A11
SCHEMBL3691540 0.79 GPR84 (0.36) ZDHHC7ALDH1A1ACHECYP4F2CYP4A11
SCHEMBL8586333 0.79 ZDHHC7 (0.42) ZDHHC7CA1CA2ACHECYP4F2

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 ZDHHC7 811/4885CA1 1769/4885CA2 2897/4885

“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.