Itaconate

Itaconate

SCHEMBL2641437

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

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TSHR P16473 7/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 2/20 0.33
APP P05067 1/20 0.33
CASP1 P29466 1/20 0.30

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 SCHEMBL7571545 0.95 HSD17B10 (0.55) HSD17B10ALOX15MAPTCACNA1BAPBA1
SCHEMBL10939902 0.88 HSD17B10 (0.44) HSD17B10ALOX15MAPTCACNA1BAPBA1
Malonic Acid SCHEMBL8735862 0.87 MAPT (0.48) HSD17B10ALOX15MAPTCACNA1BAPBA1
Itaconate SCHEMBL6913753 0.82 HSD17B10 (0.60) HSD17B10ALOX15TSHRALDH1A1TP53
Itaconate SCHEMBL27619889 0.81 ALOX15 (0.63) HSD17B10ALOX15MAPTCACNA1BAPBA1
SCHEMBL5447947 0.81 TSHR (0.39) HSD17B10ALOX15MAPTCACNA1BAPBA1
Itaconate SCHEMBL11140682 0.81 HSD17B10 (0.58) HSD17B10ALOX15TSHRALDH1A1TP53
Itaconate SCHEMBL10809656 0.81 HSD17B10 (0.58) HSD17B10ALOX15TSHRALDH1A1TP53
Bicarbonate SCHEMBL1577827 0.80 TSHR (0.50) HSD17B10MAPTCACNA1BAPBA1TSHR
SCHEMBL5167665 0.80 TSHR (0.54) HSD17B10MAPTCACNA1BAPBA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791732-B2 2011-10-12 JP claimed
EP-1583803-B1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS BASF SE (DE) 2010-07-28 EP claimed
EP-1583803-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS Ciba SC Holding AG (CH) 2005-10-12 EP claimed
US-6867301-B2 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-03-15 US claimed
WO-2004063284-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-29 WO claimed
US-20040138458-A1 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORP. 2004-07-15 US claimed
EP-1583803-B1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS BASF SE (DE) 2010-07-28 EP disclosed
CN-100577437-C Thermosensitive recording medium JAPAN PAPER CO LTD 2010-01-06 CN disclosed
EP-1583803-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS Ciba SC Holding AG (CH) 2005-10-12 EP disclosed
CN-1617804-A Thermosensitive recording medium JAPAN PAPER CO LTD (JP) 2005-05-18 CN disclosed
US-6867301-B2 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-03-15 US disclosed
WO-2004063284-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-29 WO disclosed
US-20040138458-A1 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORP. 2004-07-15 US disclosed
US-6726758-B2 CARBON BLACK, A MAGENTA PIGMENT, AND A CYAN PIGMENT AS COLORANTS, AND THE PLURALITY OF BLACK INK COMPOSITIONS ARE DIFFERENT FROM EACH OTHER IN CONTENT OF CARBON BLACK, AND THE CONTENT OF THE MAGENTA PIGMENT SEIKO EPSON CORPORATION (JP) 2004-04-27 US disclosed
US-20030056687-A1 Black ink set and recording method using the same SEIKO EPSON CORPORATION 2003-03-27 US disclosed
US-6440203-B2 WATER SOLUBILITY SEIKO EPSON CORPORATION (JP) 2002-08-27 US disclosed
US-20010035110-A1 Ink composition capable of realizing images possessing excellent color development and fixation SEIKO EPSON CORPORATION 2001-11-01 US disclosed
EP-1114851-A1 Ink composition capable of realizing images possessing excellent color development and fixation SEIKO EPSON CORPORATION (JP) 2001-07-11 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 (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-20040138458-A1 Oxidation process for highly dispersible quinacridone pigments NDUFA6, NDUFS6, NDUFA3 HSD17B10 170/4885ALOX15 390/4885MAPT 893/4885

“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.