SCHEMBL2838181

SCHEMBL2838181

Cc1ccccc1OC(=O)c1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.42
TP53 P04637 1/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A4 P14672 1/20 0.41
PPARG P37231 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL2830639 0.88 KMT2A (0.65) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL2835378 0.87 KMT2A (0.51) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL2833547 0.85 KMT2A (0.70) KMT2ALMNACES2CES1POLB
SCHEMBL2835587 0.84 KMT2A (0.47) KMT2AMEN1ESR1ESR2ATM
SCHEMBL2831397 0.83 KMT2A (0.54) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL2830641 0.82 KMT2A (0.54) KMT2ALMNAL3MBTL1
SCHEMBL2832842 0.82 KMT2A (0.47) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL3932697 0.79 TDP1 (0.44) KMT2AMEN1ESR1ESR2ATM
SCHEMBL2835178 0.79 KMT2A (0.60) KMT2ALMNAMEN1ESR1ESR2
SCHEMBL2838172 0.78 KMT2A (0.52) KMT2ALMNAMEN1ESR1ESR2

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 1023/4885LMNA 1322/4885MEN1 2371/4885

“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.