SCHEMBL610195

SCHEMBL610195

O=C(OCCCCCC(F)F)OCCCCCC(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
NAAA Q02083 1/20 0.34
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.32
ACHE P22303 6/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL609442 0.98 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4NAAAMAPT
SCHEMBL2991210 0.91 ALDH1A1 (0.32) TSHRALDH1A1CYP3A4
SCHEMBL21943244 0.88 ALDH1A1 (0.50) TSHRALDH1A1NAAAMAPTEPHX1
SCHEMBL609860 0.82 MAPT (0.33) TSHRALDH1A1CYP3A4NAAAMAPT
SCHEMBL609974 0.80 CHRNB2 (0.35) ALDH1A1
SCHEMBL27736562 0.80 CA1 (0.35) TSHRALDH1A1EPHX1ACHEZDHHC7
SCHEMBL25700430 0.78 TSHR (0.70) TSHRALDH1A1CYP3A4MAPT
SCHEMBL19387613 0.78 TSHR (0.70) TSHRALDH1A1CYP3A4MAPT
SCHEMBL1940168 0.77 RARB (0.41) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL3151344 0.77 RARB (0.41) TSHRALDH1A1CYP3A4NAAAEPHX1

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 12 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-20120045698-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-23 US disclosed
US-20120040252-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-02-16 US disclosed
EP-2339684-A2 Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds Mitsubishi Chemical Corporation (JP) 2011-06-29 EP disclosed
EP-2278652-A2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same Mitsubishi Chemical Corporation (JP) 2011-01-26 EP disclosed
US-7803487-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2010-09-28 US disclosed
US-20100216036-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-26 US disclosed
US-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-08 US disclosed
US-20080102375-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2008-05-01 US disclosed
EP-1898485-A1 NONAQUEOUS ELECTROLYTE, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2008-03-12 EP 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 TSHR 2800/4885ALDH1A1 1883/4885CYP3A4 3577/4885

“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.