SCHEMBL31079577

SCHEMBL31079577

C=C(C(=O)OC)C(CCCCC(C)O)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.34
ABCB1 P08183 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 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
SCHEMBL29824791 0.87 ZDHHC7 (0.34) ZDHHC7ABCB1CA1CA2ALDH1A1
SCHEMBL31079658 0.83 ZDHHC7 (0.38) ZDHHC7ABCB1CA1CA2ALDH1A1
SCHEMBL16547562 0.82 ZDHHC7 (0.37) ZDHHC7ABCB1CA1CA2ALDH1A1
SCHEMBL11648130 0.73 ZDHHC7 (0.48) ZDHHC7ABCB1CA1CA2ALDH1A1
SCHEMBL11660609 0.72 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL5694365 0.71 ZDHHC7 (0.52) ZDHHC7ABCB1CA1CA2ALDH1A1
SCHEMBL6657457 0.70 CA2 (0.43) ZDHHC7CA1CA2ALDH1A1MAPT
SCHEMBL29825333 0.70 ZDHHC7 (0.38) ZDHHC7ABCB1CA1CA2
SCHEMBL12851500 0.69 ZDHHC7 (0.45) ZDHHC7ABCB1CA1CA2MAPT
SCHEMBL29056390 0.69 CA2 (0.50) ZDHHC7ABCB1CA1CA2CYP3A4

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 811/4885ABCB1 3060/4885CA1 1769/4885

“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.