SCHEMBL2036151

SCHEMBL2036151

O=C(CCF)NCCCF

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAAA Q02083 1/20 0.43
FAAH O00519 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DNM1 Q05193 1/20 0.38
POLB P06746 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL2053649 0.83
SCHEMBL16254111 0.83 CASP2 (0.63) CASP2MEN1KMT2ANAAAFAAH
SCHEMBL27653265 0.79
SCHEMBL23617737 0.78 SLC6A5 (0.45) CASP2TSHRFAAHL3MBTL1DNM1
SCHEMBL2031148 0.77
SCHEMBL1235991 0.76
SCHEMBL6722268 0.76
SCHEMBL9411723 0.75 CASP2 (0.69) CASP2NAAAFAAHDNM1SLC6A5
SCHEMBL7770620 0.75 TSHR (0.38) CASP2TSHRALDH1A1SMN1; SMN2NAAA
SCHEMBL2032452 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2339684-B1 Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds MITSUBISHI CHEM CORP (JP) 2013-01-09 EP disclosed
EP-2485314-A1 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary cell Mitsubishi Chemical Corporation (JP) 2012-08-08 EP disclosed
US-8178246-B2 Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-15 US disclosed
EP-2339684-A2 Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds Mitsubishi Chemical Corporation (JP) 2011-06-29 EP disclosed
US-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-08 US disclosed
EP-1890357-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND CARBONATE COMPOUND Mitsubishi Chemical Corporation (JP) 2008-02-20 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-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS SLC9A1, NHERF1, CA2 CASP2 1849/4885TSHR 2800/4885ALDH1A1 1883/4885

“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.