SCHEMBL2834922

SCHEMBL2834922

COc1c(F)c(F)cc(C(=O)Oc2cccc(C)c2C)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.42
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2833967 0.90 ATM (0.43) MAPTNR1H2NR1H3KMT2ALMNA
SCHEMBL2834925 0.81 L3MBTL1 (0.46) MAPTKMT2ARAB9AL3MBTL1TP53
SCHEMBL2830459 0.77 ALDH1A1 (0.47) POLBMAPTKMT2ALMNARAB9A
SCHEMBL2838574 0.77 POLB (0.51) POLBMAPTKMT2ALMNARAB9A
SCHEMBL2835054 0.77 POLB (0.51) POLBMAPTKMT2ALMNARAB9A
SCHEMBL2833933 0.76 KMT2A (0.57) POLBMAPTKMT2ALMNAMEN1
SCHEMBL2834989 0.76 POLB (0.40) POLBMAPTKMT2ALMNAL3MBTL1
SCHEMBL2833966 0.76 MAPT (0.44) MAPTKMT2ALMNATP53MEN1
SCHEMBL28937179 0.75 HSD17B10 (0.39) MAPTNR1H2NR1H3KMT2ALMNA
SCHEMBL2831221 0.74 KDM4E (0.45) POLBNR1H2NR1H3KMT2ALMNA

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 POLB 398/4885MAPT 3532/4885NR1H2 3499/4885

“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.