SCHEMBL2829946

SCHEMBL2829946

Cc1cccc(OC(=O)c2cccc(F)c2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 3/20 0.63
POLB P06746 2/20 0.60
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
MAPT P10636 3/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 2/20 0.47
SLC2A1 P11166 1/20 0.47
SLC2A4 P14672 1/20 0.47
TTR P02766 1/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 3/20 0.45
PARP1 P09874 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2835178 0.89 KMT2A (0.60) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL2833901 0.86 POLB (0.69) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL6349146 0.82 POLB (0.73) KMT2APOLBESR1ESR2MAPT
SCHEMBL2829948 0.81 KMT2A (0.69) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL2835054 0.81 POLB (0.51) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL2830639 0.80 KMT2A (0.65) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL2838742 0.80 SLC2A1 (0.57) KMT2AALDH1A1ESR1ESR2MAPT
SCHEMBL2838172 0.79 KMT2A (0.52) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL16235878 0.78 POLB (0.71) KMT2AALDH1A1POLBESR1ESR2
SCHEMBL2832037 0.77 KMT2A (0.57) KMT2AALDH1A1POLBESR1ESR2

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 1023/4885ALDH1A1 2511/4885POLB 398/4885

“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.