SCHEMBL2833967

SCHEMBL2833967

COc1c(F)c(F)cc(C(=O)Oc2ccccc2C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
KMT2A Q03164 4/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2834922 0.90 POLB (0.46) L3MBTL1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL2834989 0.86 POLB (0.40) ATMTDP1L3MBTL1LMNAKMT2A
SCHEMBL2834925 0.85 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL2830459 0.82 ALDH1A1 (0.47) TDP1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL2833966 0.78 MAPT (0.44) LMNAKMT2AMEN1CYP2C9MAPT
SCHEMBL12315391 0.77 MAPT (0.47) TDP1KMT2AMEN1MAPT
SCHEMBL28937179 0.77 HSD17B10 (0.39) TDP1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL2831397 0.76 KMT2A (0.54) SMN1; SMN2KDM4ELMNAKMT2AESR1
SCHEMBL2831221 0.76 KDM4E (0.45) TDP1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL2838173 0.76 KMT2A (0.49) TDP1L3MBTL1SMN1; SMN2KDM4ELMNA

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 ATM 3846/4885TDP1 3303/4885L3MBTL1 2759/4885

“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.