SCHEMBL2829961

SCHEMBL2829961

COc1c(F)c(F)cc(C(=O)OCCOC(=O)c2cc(F)c(F)c(OC)c2F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
SERPINE1 P05121 2/20 0.38
SLC29A1 Q99808 2/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2831392 0.94 KMT2A (0.47) KMT2ATSHRSLC29A1GAAALDH1A1
SCHEMBL2834707 0.94 KMT2A (0.51) KMT2ATSHRSERPINE1SLC29A1GAA
SCHEMBL2832574 0.92 ALDH1A1 (0.47) KMT2ATSHRALDH1A1LMNAMAPT
SCHEMBL12340228 0.90 KMT2A (0.36) KMT2ATSHRSERPINE1SLC29A1GAA
SCHEMBL2835446 0.89 TSHR (0.44) KMT2ATSHRALDH1A1LMNAMAPT
SCHEMBL28785157 0.87 GAA (0.37) KMT2ATSHRGAAUSP2NR1H2
SCHEMBL2835110 0.87 KMT2A (0.36) KMT2ATSHRSLC29A1GAAUSP2
SCHEMBL2166677 0.86 KMT2A (0.35) KMT2ATSHRGAAUSP2ALDH1A1
SCHEMBL2838554 0.86 NPC1 (0.36) KMT2ATSHRGAAUSP2NR1H2
SCHEMBL2831044 0.85 KMT2A (0.36) KMT2ATSHRGAAALDH1A1LMNA

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
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 KMT2A 1023/4885TSHR 3459/4885SERPINE1 4479/4885

“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.