SCHEMBL2831970

SCHEMBL2831970

C#CC(C)(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.47
▸ ANO1 Q5XXA6 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MAPT P10636 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
SCHEMBL2831838 0.84 ELANE (0.45) ELANEANO1
SCHEMBL2838731 0.79 ELANE (0.50) ELANEANO1MAPT
SCHEMBL2838163 0.79 ELANE (0.46) ELANEANO1
SCHEMBL29159153 0.77 TSHR (0.36) TSHRMAPK1ESR1MAPT
SCHEMBL522898 0.74 TSHR (0.37) TSHRMAPK1ESR1
SCHEMBL2833508 0.73 ELANE (0.69) ELANEANO1MAPK1MAPT
SCHEMBL2837832 0.72 ADRB2 (0.50) ELANEANO1MAPT
SCHEMBL18697280 0.70 — —
SCHEMBL694210 0.70 CES2 (0.34) TSHRMAPK1ESR1MAPT
SCHEMBL2106177 0.69 ELANE (0.46) ELANE

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 5 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
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 ELANE 11/4885ANO1 1019/4885TSHR 3459/4885

“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.

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