Itaconate

Itaconate

SCHEMBL8434153

C=C(CC(=O)O)C(=O)O.O=C(O)/C=C/CC(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 4/20 0.37
GABRR1 P24046 2/20 0.37
GABRR2 P28476 2/20 0.37
BLM P54132 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.34
LDHA P00338 1/20 0.31
SRR Q9GZT4 1/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
PAM P19021 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
Itaconate SCHEMBL8434156 1.00 ALOX15 (0.61) ALOX15HSD17B10ALDH1A1CYP2D6TSHR
Itaconate SCHEMBL271206 0.85 ALOX15 (0.74) ALOX15HSD17B10ALDH1A1TSHRGABRR1
Itaconate SCHEMBL676005 0.85 ALOX15 (0.74) ALOX15HSD17B10ALDH1A1TSHRGABRR1
Itaconate SCHEMBL20487586 0.85 ALOX15 (0.74) ALOX15HSD17B10ALDH1A1TSHRGABRR1
Itaconate SCHEMBL676003 0.85 ALOX15 (0.74) ALOX15HSD17B10ALDH1A1TSHRGABRR1
Phthalic Acid SCHEMBL5551075 0.84 ALOX15 (0.45) ALOX15HSD17B10ALDH1A1APEX1PAM
SCHEMBL306251 0.81 TSHR (0.44) ALOX15HSD17B10ALDH1A1CYP2D6TSHR
SCHEMBL9853791 0.81 TSHR (0.44) ALOX15HSD17B10ALDH1A1CYP2D6TSHR
Glutaconate SCHEMBL12230 0.80
Glutaconate SCHEMBL688877 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11071595-A None JP disclosed
EP-4362900-A1 METHODS FOR ACTIVATION AND PREPARATION OF KERATIN FIBER COATINGS, PREFERABLY COLOR COATINGS Wella Germany GmbH (DE) 2024-05-08 EP disclosed
US-20230248636-A1 METHODS FOR PREPARATION OF KERATIN FIBER COLOR COATINGS WITH A CARBOXYLIC ACID POLYMER - CDI COMPOSITION HERRLEIN MATHIAS KURT (DE) 2023-08-10 US disclosed
EP-4171494-A1 METHODS FOR PREPARATION OF KERATIN FIBER COLOR COATINGS WITH A CARBOXYLIC ACID POLYMER - CDI COMPOSITION Wella Germany GmbH (DE) 2023-05-03 EP disclosed
WO-2023274570-A1 METHODS FOR ACTIVATION AND PREPARATION OF KERATIN FIBER COATINGS, PREFERABLY COLOR COATINGS WELLA GERMANY GMBH (DE) 2023-01-05 WO disclosed
WO-2022002986-A1 METHODS FOR PREPARATION OF KERATIN FIBER COLOR COATINGS WITH A CARBOXYLIC ACID POLYMER - CDI COMPOSITION HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-06 WO disclosed
US-20210401713-A1 METHOD FOR COATING KERATIN FIBERS HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2021-12-30 US disclosed
JP-H1171595-A DETERGENT COMPOSITION LION CORP 1999-03-16 JP disclosed
EP-0335399-A2 A novel photoresin relief printing plate Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-10-04 EP 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 (2 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-20230248636-A1 METHODS FOR PREPARATION OF KERATIN FIBER COLOR COATINGS WITH A CARBOXYLIC ACID POLYMER - CDI COMPOSITION KRT18, CRYAA, DCX ALOX15 3502/4885HSD17B10 795/4885ALDH1A1 438/4885
US-20210401713-A1 METHOD FOR COATING KERATIN FIBERS KRT18, KLK5, KIF5C ALOX15 4357/4885HSD17B10 3985/4885ALDH1A1 3074/4885

“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.