Itaconate

Itaconate

SCHEMBL2524622

C=C(CC(=O)O)C(=O)O.CN1CC(C(=O)O)CC1=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
MAPT P10636 2/20 0.44
POLB P06746 3/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
RECQL P46063 1/20 0.38
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL15684270 0.82 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2CASP1
SCHEMBL119901 0.82 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2CASP1
SCHEMBL2811918 0.82 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2CASP1
SCHEMBL30307671 0.82 BRD4 (0.63) BRD4MAPTPOLBSMN1; SMN2CASP1
SCHEMBL3826960 0.76 BRD4 (0.53) BRD4MAPTPOLBSMN1; SMN2CASP1
Glycerin SCHEMBL3843494 0.74 MAPT (0.51) BRD4MAPTPOLBALOX15SMN1; SMN2
SCHEMBL23795093 0.72 POLB (0.46) MAPTPOLBALOX15SMN1; SMN2KMT2A
SCHEMBL9789649 0.72 BRD4 (0.59) BRD4MAPTPOLBCASP1CASP7
Triethylene Glycol SCHEMBL1362131 0.72 BRD4 (0.51) BRD4MAPTPOLBSMN1; SMN2CASP1
SCHEMBL21948726 0.70 BRD4 (0.56) BRD4MAPTPOLBSMN1; SMN2P2RX7

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-8796472-B2 Mixtures of itaconic acid or itaconic acid derivatives and primary amines for producing 1,3- and 1,4-alkyl methyl pyrrolidones BASF SE (DE) 2014-08-05 US disclosed
US-20110251119-A1 MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES BASF SE (DE) 2011-10-13 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-20110251119-A1 MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES HADHA, HADH, ASS1 BRD4 651/4885MAPT 1703/4885POLB 1333/4885

“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.