SCHEMBL293240

SCHEMBL293240

CCOC(=O)[CH]CC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
HCAR2 Q8TDS4 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TRPA1 O75762 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39

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
SCHEMBL8420342 0.87 HCAR2 (0.47) GAAMGAMSIMGAM2HCAR2
SCHEMBL11066780 0.86 GAA (0.52) GAAMGAMSIMGAM2HCAR2
SCHEMBL5835931 0.86 MGAM (0.46) GAAMGAMSIMGAM2HCAR2
SCHEMBL8806710 0.81 HCAR2 (0.39) GAAMGAMSIMGAM2HCAR2
SCHEMBL15283301 0.81 HCAR2 (0.52) GAAMGAMSIMGAM2HCAR2
SCHEMBL82647 0.80
SCHEMBL8012696 0.79 GAA (0.48) GAAMGAMSIMGAM2HCAR2
SCHEMBL3510521 0.79 ALOX15 (0.48) GAAMGAMSIMGAM2HCAR2
SCHEMBL8992680 0.78
SCHEMBL29470047 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131655-A1 ONE-COMPONENT MOISTURE CURING COMPOSITION SIKA TECHNOLOGY AG (CH) 2023-07-13 WO claimed
US-4766133-A ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1988-08-23 US claimed
EP-0214479-A2 Benzimidazol-2-ylpyridinium compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-03-18 EP claimed
WO-2023131655-A1 ONE-COMPONENT MOISTURE CURING COMPOSITION SIKA TECHNOLOGY AG (CH) 2023-07-13 WO disclosed
US-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US disclosed
EP-2967070-A1 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-5-FLUORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL) PYRIDINE-2-CARBOXYLIC ACID Dow AgroSciences LLC (US) 2016-01-20 EP disclosed
US-20150374610-A1 TOPICAL PROTECTIVE POLYMERIZED NANOPARTICLES IN AN ACTIVE OR BIOACTIVE ARRAY, METHODS FOR PREPARING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-12-31 US disclosed
US-20150158893-A1 PROCESS FOR PREPARING MALATHION FOR PHARMACEUTICAL USE TARO PHARMACEUTICALS NORTH AMERICA, INC. (KY) 2015-06-11 US disclosed
US-8957238-B2 Process for preparing malathion for pharmaceutical use TARO PHARMACEUTICALS NORTH AMERICA, INC. (KY) 2015-02-17 US disclosed
WO-2014159335-A1 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-5-FLUORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL) PYRIDINE-2-CARBOXYLIC ACID DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-4451660-A AGRICULTURE, HORTICULTURE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1984-05-29 US disclosed
US-4439440-A 1-Alkoxycarbonylphenylcarbamoyl-3-phenyl-4-cyanoalkyl-2-pyrazolines and use as insecticides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1984-03-27 US disclosed
EP-0031173-B1 NEW NITROTHIOPHENES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS FUNGICIDAL AND/OR BACTERICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-09-14 EP disclosed
EP-0021506-B1 NEW PYRAZOLINE DERIVATIVES, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS INSECTICIDAL COMPOSITION ON THE BASIS OF THESE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-09-07 EP disclosed
US-4379157-A Sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-04-05 US disclosed
EP-0031974-A2 New urea compounds and thiourea compounds, method of preparing the new compounds, and insecticidal compositions on the basis of these compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-07-15 EP disclosed
EP-0031173-A1 New nitrothiophenes, method of preparing the new compounds, as well as fungicidal and/or bactericidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-07-01 EP disclosed
EP-0009191-A1 Water-insoluble disazodyestuffs, their preparation and application CASSELLA Aktiengesellschaft (DE) 1980-04-02 EP disclosed
US-4013632-A SYNTHETIC FIBERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-22 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 (3 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-20150374610-A1 TOPICAL PROTECTIVE POLYMERIZED NANOPARTICLES IN AN ACTIVE OR BIOACTIVE ARRAY, METHODS FOR PREPARING SAME AND USES THEREOF CD63, SOD1, CUTA GAA 372/4885MGAM 341/4885SI 1956/4885
US-20150158893-A1 PROCESS FOR PREPARING MALATHION FOR PHARMACEUTICAL USE MSMO1, DDO, DCPS GAA 1904/4885MGAM 233/4885SI 138/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 GAA 3355/4885MGAM 4151/4885SI 4578/4885

“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.