Itaconate

Itaconate

SCHEMBL286967

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.75
HSD17B10 Q99714 1/20 0.75
LDHA P00338 1/20 0.50
SRR Q9GZT4 1/20 0.50
TET2 Q6N021 5/20 0.42
TET3 O43151 1/20 0.42
TET1 Q8NFU7 1/20 0.42
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRM1 Q13255 1/20 0.40
GRM2 Q14416 1/20 0.40
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
EGLN1 Q9GZT9 2/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
OR51E2 Q9H255 2/20 0.32
MAPK1 P28482 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32

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 SCHEMBL29886131 1.00
Itaconate SCHEMBL21523 1.00
Itaconate SCHEMBL10757202 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL1888723 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL1184044 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL7518254 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL9244093 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL18554417 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL6552810 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2
Itaconate SCHEMBL2397428 0.97 ALOX15 (0.71) ALOX15HSD17B10LDHASRRTET2

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4566100-A1 ANODE COMPOSITION CONTAINING ANIONIC BINDER COATEX (FR) 2025-06-11 EP claimed
WO-2024028544-A1 ANODE COMPOSITION CONTAINING ANIONIC BINDER COATEX (FR) 2024-02-08 WO claimed
US-20150065366-A1 Biomarkers for Bladder Cancer and Methods Using the Same METABOLON, INC. 2015-03-05 US claimed
EP-2776832-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2014-09-17 EP claimed
CN-103183764-A Super absorbent polymer and method for forming the same IND TECH RES INST 2013-07-03 CN claimed
WO-2013070839-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-05-16 WO claimed
US-5171451-A Homo- and copolymers of (meth)acrylic acid and their salts; calcium carbonate saturation ratio retained; antiscaling agents, corrosion resistance NALCO CHEMICAL COMPANY (US) 1992-12-15 US claimed
CN-119968366-A Oxadiazole derivatives, methods of preparation and use thereof in the treatment of inflammatory diseases 西特瑞治疗有限公司 2025-05-09 CN disclosed
WO-2025072417-A1 POLYSACCHARIDE DERIVATIVES Nutrition & Biosciences USA 4, Inc. (US) 2025-04-03 WO disclosed
CN-117731660-B Use of ACOD gene activity inhibitor in preparation of medicine for treating cancer 重庆医科大学附属第一医院 2025-02-14 CN disclosed
CN-118613596-A Biomarkers for detecting and distinguishing invasive prostate cancer from inert forms and treatment of invasive prostate cancer 约翰霍普金斯大学 2024-09-06 CN disclosed
CN-118453562-A Nasal spray composition, nasal spray and application 森宝(杭州)品牌运营有限公司 2024-08-09 CN disclosed
CN-117731660-A Application of ACOD1 gene activity inhibitor in preparation of medicines for treating cancers 重庆医科大学附属第一医院 2024-03-22 CN disclosed
US-7939687-B2 Sol-gel-polymer nanocomposite and methods thereof CORNING INCORPORATED (US) 2011-05-10 US disclosed
US-20110077333-A1 BASIC STABILISATION SYSTEMS FOR EMULSION POLYMERISED RUBBER BASF SE (DE) 2011-03-31 US disclosed
US-20110070616-A1 PRODUCTION OF ITACONIC ACID NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO 2011-03-24 US disclosed
EP-2285887-A1 BASIC STABILISATION SYSTEMS FOR EMULSION POLYMERISED RUBBERS BASF SE (DE) 2011-02-23 EP disclosed
CN-101200755-A Bacterium identification reagent kit as well as preparation method and uses thereof UNIV SOUTH CHINA AGRICULT (CN) 2008-06-18 CN disclosed
WO-2006080741-A1 SINTERED BIOACTIVE CERAMIC COMPOSITE IMPLANT AND PREPARATION THEREOF LG CHEM, LTD. (KR) 2006-08-03 WO disclosed
US-5250375-A Photostructuring process SIEMENS AKTIENGESELLSCHAFT (DE) 1993-10-05 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-20110070616-A1 PRODUCTION OF ITACONIC ACID MAFG, SLC16A7, SLC16A1 ALOX15 2706/4885HSD17B10 621/4885LDHA 579/4885

“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.