SCHEMBL2835172

SCHEMBL2835172

Cc1ccc(OC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.63
ESR2 Q92731 1/20 0.63
KMT2A Q03164 10/20 0.62
ALDH1A1 P00352 6/20 0.62
MEN1 O00255 3/20 0.59
TTR P02766 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.48
PARP1 P09874 1/20 0.47

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
SCHEMBL19360003 1.00 ESR1 (0.63) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL2838743 0.88 ESR1 (0.69) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL7212880 0.88 KMT2A (0.63) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL2833908 0.85 ESR1 (0.73) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL17231849 0.85 KMT2A (0.68) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL25986611 0.84 KMT2A (0.52) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL10091156 0.84 ESR1 (0.59) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL10921643 0.82 KMT2A (0.61) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL14206781 0.81 ESR1 (0.68) ESR1ESR2KMT2AALDH1A1MEN1
SCHEMBL17231857 0.81 KMT2A (0.63) ESR1ESR2KMT2AALDH1A1MEN1

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 ESR1 119/4885ESR2 870/4885KMT2A 1023/4885

“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.