SCHEMBL2834752

SCHEMBL2834752

C#CC(C)OC(=O)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL2831437 0.83 ADRB2 (0.49) KMT2AMEN1TDP1CES2CES1
SCHEMBL2832868 0.83 KMT2A (0.40) KMT2AMEN1TDP1CA12CA1
SCHEMBL2831987 0.82 CA12 (0.42) KMT2AMEN1TDP1CA12CA1
SCHEMBL2831380 0.80 ADRB2 (0.50) KMT2AMEN1TDP1CES2CES1
SCHEMBL2838186 0.79 MEN1 (0.35) KMT2AMEN1TDP1CA12CA1
SCHEMBL2838430 0.79 MEN1 (0.37) KMT2AMEN1TDP1CA12CA1
SCHEMBL2834996 0.75 ADRB2 (0.47) KMT2AMEN1TDP1CA12CA1
SCHEMBL2831048 0.74 CES2 (0.49) KMT2AMEN1TDP1CES2CES1
SCHEMBL18027643 0.74 TSHR (0.53) KMT2AMEN1TDP1CA12CA1
SCHEMBL21402709 0.74 TSHR (0.53) KMT2AMEN1TDP1CA12CA1

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
CN-101595082-B Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES 2013-08-21 CN disclosed
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
CN-101595082-A Ester cpds, the nonaqueous electrolytic solution that uses this ester cpds and lithium secondary battery UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 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-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 KMT2A 1023/4885MEN1 2371/4885TDP1 3303/4885

“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.