SCHEMBL2834989

SCHEMBL2834989

CCOc1c(F)c(F)cc(C(=O)Oc2ccccc2C)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 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 0.86 ATM (0.43) ESR1ESR2LMNATDP1MEN1
SCHEMBL2835084 0.83 HPGD (0.43) CASP3ESR1ESR2LMNATDP1
SCHEMBL2834985 0.80 LMNA (0.43) LMNAMEN1KMT2AATML3MBTL1
SCHEMBL4392105 0.77 ESR1 (0.54) POLBESR1ESR2LMNAMEN1
SCHEMBL2834922 0.76 POLB (0.46) POLBESR1ESR2LMNAMEN1
Biphenyl SCHEMBL2835047 0.75 GAA (0.44) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL8593509 0.73 TSHR (0.44) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL2831397 0.73 KMT2A (0.54) POLBESR1ESR2LMNAMEN1
SCHEMBL2832842 0.73 KMT2A (0.47) POLBESR1ESR2LMNATDP1
SCHEMBL2838173 0.73 KMT2A (0.49) POLBESR1ESR2LMNATDP1

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 398/4885CASP3 1515/4885ESR1 119/4885

“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.