SCHEMBL1469412

SCHEMBL1469412

CCC(OC)OC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TSHR P16473 4/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
MMP3 P08254 1/20 0.32
USP2 O75604 1/20 0.32
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL654463 0.95 ALDH1A1 (0.33) CA1CA2ALDH1A1SOAT1
SCHEMBL16809087 0.86 TSHR (0.37) TSHR
SCHEMBL1471558 0.86 ALDH1A1 (0.50) CA1CA2ALDH1A1MGAMGAA
SCHEMBL9749086 0.83
SCHEMBL1128339 0.83 HDAC7 (0.37) CA1CA2TSHR
SCHEMBL16024 0.82
SCHEMBL654464 0.82
SCHEMBL7157006 0.80 MEN1 (0.36) TSHRALDH1A1
SCHEMBL6655623 0.80
SCHEMBL8434353 0.80 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3249735-A2 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2017-11-29 EP disclosed
US-9136560-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-09-15 US disclosed
US-20150166520-A1 AMIDO-SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2015-06-18 US disclosed
US-8435681-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-07 US disclosed
US-20130095379-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME KOTATO MINORU (JP) 2013-04-18 US disclosed
US-20120244426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-09-27 US disclosed
US-8043745-B2 Non-aqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-10-25 US disclosed
US-8007938-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-30 US disclosed
US-20110070485-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-03-24 US disclosed
US-20070224514-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-09-27 US disclosed
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 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-20150166520-A1 AMIDO-SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF HIV INFECTION ARG1, ASS1, ARG2 CA1 4870/4885CA2 4779/4885TSHR 2027/4885

“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.