SCHEMBL31079907

SCHEMBL31079907

C=C(C(=O)O)C(CCCCCC(=O)OCC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PAM P19021 2/20 0.40
DGKA P23743 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL31079525 0.94 CYP1A2 (0.46) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL4835509 0.87 CYP1A2 (0.52) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL11514409 0.87 CYP1A2 (0.52) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL31079601 0.84 LMNA (0.46) KMT2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL31079632 0.84 LMNA (0.46) KMT2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL11598732 0.80 KMT2A (0.54) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL7971092 0.80 KMT2A (0.54) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL7073725 0.79 CYP1A2 (0.55) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL3819477 0.78 CYP1A2 (0.50) KMT2ACYP1A2TSHRALDH1A1TDP1
SCHEMBL3826148 0.78 CYP1A2 (0.50) KMT2ACYP1A2TSHRALDH1A1TDP1

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 KMT2A 4103/4885CYP1A2 2238/4885TSHR 3975/4885

“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.