SCHEMBL2838577

SCHEMBL2838577

Cc1ccc(OC(=O)c2c(F)cc(F)c(F)c2F)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2832514 0.89 L3MBTL1 (0.51) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2838174 0.86 L3MBTL1 (0.52) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2832842 0.83 KMT2A (0.47) L3MBTL1TP53KMT2AMEN1
SCHEMBL2830641 0.83 KMT2A (0.54) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2834469 0.80 KMT2A (0.37) KMT2AMEN1MAPK1SMN1; SMN2GFER
SCHEMBL2832840 0.80 LMNA (0.47) L3MBTL1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL2838574 0.78 POLB (0.51) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2834925 0.76 L3MBTL1 (0.46) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2833936 0.76 MAPT (0.56) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2833903 0.75 CYP1A2 (0.56) L3MBTL1MAPTCYP1A2CYP3A4CYP2C9

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 L3MBTL1 2759/4885MAPT 3532/4885CYP1A2 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.