Itaconate

Itaconate

SCHEMBL4960729

C=C(CC(=O)O)C(=O)O.C=COC(C)=O.O=C1CCCN1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OR51E2 Q9H255 1/20 0.38
FKBP5 Q13451 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
2-Pyrrolidone SCHEMBL933908 0.87 OR51E2 (0.50) OR51E2FKBP5CRBN
2-Pyrrolidone SCHEMBL4595907 0.85 OR51E2 (0.52) OR51E2FKBP5CRBN
2-Pyrrolidone SCHEMBL22534 0.85 OR51E2 (0.52) OR51E2FKBP5CRBN
2-Pyrrolidone SCHEMBL28565455 0.84 OR51E2 (0.50) OR51E2FKBP5CRBN
2-Pyrrolidone SCHEMBL27876042 0.81 OR51E2 (0.47) OR51E2FKBP5CRBN
Itaconate SCHEMBL2441529 0.81 ALOX15 (0.59) ALOX15HSD17B10
2-Pyrrolidone SCHEMBL852356 0.80 OR51E2 (0.43) OR51E2FKBP5CRBN
Caprolactam SCHEMBL28156132 0.78 FKBP5 (0.46) OR51E2FKBP5CRBN
Itaconate SCHEMBL128186 0.76 ALOX15 (0.38) ALOX15HSD17B10
2-Pyrrolidone SCHEMBL27365042 0.76 OR51E2 (0.47) OR51E2FKBP5CRBN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080206164-A1 Cosmetic composition comprising at least one cationic polyurethane and at least one vinyl pyrrolidone homo- or copolymer, and method of styling therewith L'OREAL S.A. (FR) 2008-08-28 US claimed
US-20080206164-A1 Cosmetic composition comprising at least one cationic polyurethane and at least one vinyl pyrrolidone homo- or copolymer, and method of styling therewith L'OREAL S.A. (FR) 2008-08-28 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-20080206164-A1 Cosmetic composition comprising at least one cationic polyurethane and at least one vinyl pyrrolidone homo- or copolymer, and method of styling therewith PUF60, SRSF2, PCBP1 ALOX15 41/4885HSD17B10 922/4885OR51E2 1565/4885

“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.