SCHEMBL2830641

SCHEMBL2830641

Cc1ccc(OC(=O)c2c(F)cccc2F)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42

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
SCHEMBL2838174 0.88 L3MBTL1 (0.52) KMT2AL3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL2832514 0.84 L3MBTL1 (0.51) KMT2AL3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL2833936 0.83 MAPT (0.56) KMT2AL3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL2838577 0.83 L3MBTL1 (0.48) KMT2AL3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL2838181 0.82 KMT2A (0.67) KMT2AL3MBTL1LMNA
SCHEMBL2829948 0.82 KMT2A (0.69) KMT2AL3MBTL1CYP1A2MAPTCYP2C19
SCHEMBL2831149 0.81 KMT2A (0.49) KMT2ACYP1A2MAPTCYP2C19LMNA
SCHEMBL2830639 0.78 KMT2A (0.65) KMT2AL3MBTL1MAPTALDH1A1LMNA
SCHEMBL2838178 0.77 ALDH1A1 (0.57) KMT2ACYP1A2MAPTCYP2C19NPSR1
SCHEMBL2833903 0.76 CYP1A2 (0.56) KMT2AL3MBTL1CYP1A2MAPTCYP2C19

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 1023/4885L3MBTL1 2759/4885CYP1A2 3539/4885

“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.