Itaconate

Itaconate

SCHEMBL108568

C=C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Itaconate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 6/20 0.56
CA2 known ✓ P00918 2/20 0.32
CA1 known ✓ P00915 2/20 0.32
CA12 known ✓ O43570 1/20 0.32
FAHD1 Q6P587 1/20 0.39
CASP1 P29466 1/20 0.38
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
LDHA P00338 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CA9 Q16790 1/20 0.32
LMNA P02545 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 SCHEMBL28469208 1.00 CA4 (0.56) CA4FAHD1CASP1FFAR3HDAC3
Itaconate SCHEMBL108427 0.97 CA4 (0.53) CA4FAHD1CASP1FFAR3HDAC3
Itaconate SCHEMBL107045 0.97 CA4 (0.53) CA4FAHD1CASP1FFAR3HDAC3
Itaconate SCHEMBL7511457 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1
Itaconate SCHEMBL3209006 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1
Itaconate SCHEMBL7518248 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1
Itaconate SCHEMBL18554541 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1
Itaconate SCHEMBL9244087 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1
Itaconate SCHEMBL2523981 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1
Itaconate SCHEMBL106714 0.94 CA4 (0.50) CA4FAHD1CASP1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260117011-A1 NOVEL BIO-BASED TERPOLYMER AND PREPARATION METHOD AND USE THEREOF ALL PLUS CHEMICAL CO LTD (CN) 2026-04-30 US claimed
EP-4653480-A1 NEW BIO-BASED TERNARY POLYMER, AND PREPARATION METHOD THEREFOR AND USE THEREOF All-Plus Chemical Co., Ltd. (CN) 2025-11-26 EP claimed
US-20250207474-A1 DRILLING AND CEMENTING UNIVERSAL FLUIDS AND METHODS AND SYSTEMS RELATED THERETO SAUDI ARABIAN OIL COMPANY (SA) 2025-06-26 US claimed
WO-2025136632-A1 DRILLING AND CEMENTING UNIVERSAL FLUIDS AND METHODS AND SYSTEMS RELATED THERETO SAUDI ARABIAN OIL COMPANY (SA) 2025-06-26 WO claimed
CN-119736720-B Polyacrylonitrile spinning solution and preparation method and application thereof 清华大学 2025-06-10 CN claimed
CN-119770704-A Developing embolism microsphere and preparation method thereof 科睿驰(深圳)医疗科技发展有限公司 2025-04-08 CN claimed
CN-119736720-A Polyacrylonitrile spinning solution and preparation method and application thereof 清华大学 2025-04-01 CN claimed
CN-119733083-A Temperature-sensitive embolism microsphere and preparation method and drug-loaded release application method thereof 科睿驰(深圳)医疗科技发展有限公司 2025-04-01 CN claimed
CN-119613357-A Preparation method and application of bio-based itaconic acid diglycidyl ester 中国科学院宁波材料技术与工程研究所 2025-03-14 CN claimed
CN-119569957-A Polycarboxylate superplasticizer and preparation method and application thereof 科之杰新材料集团有限公司 2025-03-07 CN claimed
US-6579417-B1 Paper making process for manufacturing a fibrous sheet of paper or paperboard from an aqueous suspension or a fibrous mass of pulp by flocculating said pulp with at least one water soluble cross-linked polymeric retention agent SNF S.A. (FR) 2003-06-17 US claimed
US-20020137858-A1 Polymer flocculants with improved dewatering characteristics ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) 2002-09-26 US claimed
EP-1095665-A1 WOUND-COVERING PREPARATION, WOUND-COVERING MATERIAL, AND METHOD OF WOUND HEALING NOF CORPORATION (JP) 2001-05-02 EP claimed
US-6209646-B1 CAUSING LIQUID CHEMICAL ADDITIVE TO BE ABSORBED INTO POROUS SOLID MATERIAL WHEREBY LIQUID CHEMICAL IS ENCAPSULATED THEREBY AND COMBINING SAID ENCAPSULATED LIQUID CHEMICAL ADDITIVE WITH TREATING FLUID, INTRODUCING INTO WELL HALLIBURTON ENERGY SERVICES, INC. 2001-04-03 US claimed
WO-2000034581-A1 POLYAMPHOLYTE COAGULANT IN THE PAPERMAKING PROCESS CALGON CORPORATION a corporation of the State of Delaware (US) 2000-06-15 WO claimed
EP-0296850-B1 HYDROPHILIC GROUP-CONTAINING AB-TYPE BLOCK COPOLYMER MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-01-02 EP claimed
EP-0296850-A2 Hydrophilic group-containing AB-type block copolymer MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-12-28 EP claimed
US-4040970-A WITH COPOLYMER FOR RENDERING THE TONER NEGATIVELY CHARGEABLE CANON KABUSHIKI KAISHA (JA) 1977-08-09 US claimed
US-3977983-A Liquid developer for use in development of an electrostatic latent image comprising a copolymer containing an amino group converted into a quaternary ammonium salt or hydroxide CANON KABUSHIKI KAISHA (JA) 1976-08-31 US claimed
US-3943223-A Method of manufacturing acrylic fibers KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1976-03-09 US claimed

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-20260117011-A1 NOVEL BIO-BASED TERPOLYMER AND PREPARATION METHOD AND USE THEREOF DAD1, DEPTOR, GLO1 CA4 1005/4885CA2 1314/4885CA1 674/4885

“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.