SCHEMBL2833933

SCHEMBL2833933

Cc1cccc(OC(=O)c2ccccc2F)c1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 6/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL2831397 0.89 KMT2A (0.54) KMT2APOLBMEN1ESR1ESR2
SCHEMBL29699586 0.89 POLB (0.61) KMT2APOLBMEN1ESR1ESR2
SCHEMBL2835054 0.85 POLB (0.51) KMT2APOLBMEN1ESR1ESR2
SCHEMBL2830639 0.84 KMT2A (0.65) KMT2APOLBMEN1ESR1ESR2
SCHEMBL9851427 0.83 KMT2A (0.64) KMT2APOLBMEN1ESR1ESR2
SCHEMBL28731362 0.82 KMT2A (0.67) KMT2APOLBMEN1ESR1ESR2
SCHEMBL2833886 0.81 KMT2A (0.56) KMT2APOLBMEN1ESR1ESR2
SCHEMBL8431592 0.79 KMT2A (0.68) KMT2APOLBMEN1ESR1ESR2
SCHEMBL18697276 0.78 POLB (0.56) KMT2APOLBMEN1MAPTCYP1A2
SCHEMBL2833901 0.78 POLB (0.69) KMT2APOLBMEN1ESR1ESR2

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 1023/4885POLB 398/4885MEN1 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.