SCHEMBL282713

SCHEMBL282713

CCOP(=O)(OCC)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARD Q03181 2/20 0.42
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HMGCR P04035 1/20 0.35

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
SCHEMBL11516949 0.93 CA12 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL11515622 0.87 CA12 (0.45) CA12CA1CA2CA9TSHR
SCHEMBL4837576 0.80 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL2983513 0.79 ALDH1A1 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL11683810 0.78 CA12 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL10508956 0.76 CA12 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL6734130 0.76 CA12 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL2994641 0.76 CA12 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL13986850 0.76
SCHEMBL2991333 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US claimed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US claimed
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-9930893-B2 Inhibitors of DXP synthase and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2018-04-03 US disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
US-20170112864-A1 Thyromimetics for the Treatment of Fatty Liver Diseases METABASIS THERAPEUTICS, INC. (US) 2017-04-27 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
US-20150225430-A1 INHIBITORS OF DXP SYNTHASE AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US disclosed
EP-2237358-B1 Nonaqueous electrolyte battery MITSUBISHI CHEM CORP (JP) 2015-08-12 EP disclosed
US-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-4440646-A HYDROXY OR HALOALKANEPHOSPHONATES PLAINS CHEMICAL DEVELOPMENT CO. (US) 1984-04-03 US disclosed
EP-0036537-B1 PROCESS FOR DYEING FIBRE BLENDS OF POLYESTER AND CELLULOSE BAYER AG (DE) 1983-09-28 EP disclosed
EP-0009348-B1 PESTICIDALLY ACTIVE SALTS AND COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR MANUFACTURE AND USE FBC LIMITED (GB) 1983-07-20 EP disclosed
US-4339443-A Compounds and compositions FBC LIMITED (GB) 1982-07-13 US disclosed
EP-0036537-A2 Process for dyeing fibre blends of polyester and cellulose BAYER AG (DE) 1981-09-30 EP disclosed
EP-0009348-A2 Pesticidally active salts and compositions containing them and processes for their manufacture and use FBC LIMITED (GB) 1980-04-02 EP disclosed
US-4164394-A USING AN ACYLPHOSPHONATE AS ACTIVATOR FMC CORPORATION (US) 1979-08-14 US disclosed
US-4020091-A TIN SALTS OF POLYPHOSPHONIC ACIDS PLAINS CHEMICAL DEVELOPMENT CO. (US) 1977-04-26 US disclosed
US-3998915-A PROCESS FOR THE PRODUCTION OF 1-ACYLOXY ALKYLENE PHOSPHONIC ACID DIALKYL ESTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-21 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 (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-20170112864-A1 Thyromimetics for the Treatment of Fatty Liver Diseases TSHR, THRA, FABP1 CA12 3240/4885CA1 3204/4885CA2 3631/4885
US-20150225430-A1 INHIBITORS OF DXP SYNTHASE AND METHODS OF USE THEREOF DHPS, FDPS, DPYD CA12 2684/4885CA1 2571/4885CA2 3032/4885

“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.