SCHEMBL703992

SCHEMBL703992

CCCC(OC(=O)O)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL703991 0.86 CHRM1 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL607809 0.84 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL700849 0.84
SCHEMBL2034277 0.79 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4334267 0.76 HTT (0.30)
SCHEMBL17417080 0.74
SCHEMBL8732964 0.73 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL321630 0.71 GABRA1 (0.36)
SCHEMBL700848 0.69
SCHEMBL607808 0.69 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 7 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-8124272-B2 polyvinyl acetal resin varnish which is so low in stimulus property, toxicity, environment-polluting property, offensive odor, and inflammability that no problem is caused in practical use, and which is high in safety, low in viscosity, and thus favorable in workability MITSUI CHEMICALS, INC. (JP) 2012-02-28 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
US-20080090145-A1 Polyvinyl Acetal Resin Varnish Gelling Agent, Nonaqueous Electrolyte Solution, And Electrochemical Device MITSUI CHEMICALS, INC. (JP) 2008-04-17 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 CHRM1 1659/4885AKR1A1 388/4885CHRM3 3056/4885

“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.