SCHEMBL2743698

SCHEMBL2743698

CCCCC(F)(F)COC(=O)OCC(F)(F)CCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.38
FAAH O00519 8/20 0.38
ALDH1A1 P00352 2/20 0.37
CES1 P23141 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL2035794 0.86 CES2 (0.37) CES2FAAHALDH1A1CES1MEN1
SCHEMBL27833353 0.78 ALDH1A1 (0.40) CES2ALDH1A1CES1MEN1KMT2A
SCHEMBL575130 0.78 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNA
SCHEMBL14991419 0.77 LMNA (0.39) CES2ALDH1A1CES1MEN1KMT2A
SCHEMBL27202271 0.76 HTT (0.33) ALDH1A1
SCHEMBL6009430 0.73 ALDH1A1 (0.48) CES2FAAHALDH1A1CYP1A2ATM
SCHEMBL30294108 0.73 TSHR (0.51) CES2FAAHALDH1A1CES1MEN1
SCHEMBL30294100 0.73 TSHR (0.51) CES2FAAHALDH1A1CES1MEN1
SCHEMBL30294081 0.73 TSHR (0.51) CES2FAAHALDH1A1CES1MEN1
SCHEMBL6874254 0.73 CES1 (0.32) CES2CES1LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CES2 2587/4885FAAH 3506/4885ALDH1A1 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.