SCHEMBL31079632

SCHEMBL31079632

C=C(C(=O)O)C(CCCCCCCC(=O)OC)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SLC1A1 P43005 1/20 0.38
PPARG P37231 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL31079601 1.00 LMNA (0.46) LMNAALDH1A1TSHRL3MBTL1PABPC1
SCHEMBL31079537 0.90 LMNA (0.44) LMNAALDH1A1TSHRL3MBTL1PABPC1
SCHEMBL31079907 0.84 KMT2A (0.43) LMNAALDH1A1TSHRKMT2AHSD17B10
SCHEMBL3601913 0.84 TSHR (0.58) LMNAALDH1A1TSHRL3MBTL1PABPC1
SCHEMBL31079823 0.83 TSHR (0.45) LMNAALDH1A1TSHRL3MBTL1PABPC1
SCHEMBL31079740 0.79 PAOX (0.38) LMNAALDH1A1
SCHEMBL11526472 0.77 TSHR (0.54) LMNAALDH1A1TSHRL3MBTL1PABPC1
SCHEMBL11526413 0.77 TSHR (0.54) LMNAALDH1A1TSHRL3MBTL1PABPC1
SCHEMBL9234533 0.77 GPR84 (0.53) SLC1A1
SCHEMBL9233424 0.77 GPR84 (0.53) SLC1A1

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 LMNA 221/4885ALDH1A1 54/4885TSHR 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.