SCHEMBL2835587

SCHEMBL2835587

Cc1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
KDM4C Q9H3R0 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
PPARG P37231 1/20 0.42
BCHE P06276 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2832842 0.87 KMT2A (0.47) KMT2AHTTKDM4CTDP1ATM
SCHEMBL2832512 0.86 POLB (0.56) KMT2AHTTKDM4CL3MBTL1MEN1
SCHEMBL2838181 0.84 KMT2A (0.67) KMT2ATDP1ATML3MBTL1MEN1
SCHEMBL2833913 0.81 KMT2A (0.54) KMT2AHTTL3MBTL1PPARGTP53
SCHEMBL2835378 0.81 KMT2A (0.51) KMT2AHTTTDP1ATML3MBTL1
SCHEMBL2832514 0.79 L3MBTL1 (0.51) KMT2AL3MBTL1MEN1TP53NPSR1
SCHEMBL2831997 0.79 KMT2A (0.54) KMT2ATDP1ATML3MBTL1MEN1
SCHEMBL2220750 0.78 KMT2A (0.44) KMT2AHTTKDM4CTDP1ATM
SCHEMBL8663198 0.78 KMT2A (0.48) KMT2AHTTKDM4CTDP1ATM
SCHEMBL19626845 0.78 ESR1 (0.49) KMT2AL3MBTL1MEN1ESR1ESR2

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
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-03 US 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 (2 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 1023/4885HTT 3887/4885KDM4C 1386/4885
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AFF4, AFF1, AFF2 KMT2A 322/4885HTT 3216/4885KDM4C 28/4885

“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.