SCHEMBL2832840

SCHEMBL2832840

Cc1ccc(OC(=O)c2c(F)cc(F)c(F)c2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PTK2B Q14289 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2834423 0.86 KMT2A (0.44) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL532804 0.86 LMNA (0.53) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL2835375 0.85 KMT2A (0.51) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL2836091 0.83 NSD2 (0.50) LMNAALDH1A1MAPTKMT2ARAB9A
SCHEMBL532769 0.81 KMT2A (0.50) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL342679 0.80 LMNA (0.64) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL2838577 0.80 L3MBTL1 (0.48) ALDH1A1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL2838178 0.79 ALDH1A1 (0.57) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL10267274 0.78 MAPT (0.48) LMNAALDH1A1MAPTKMT2ANPC1
SCHEMBL20749319 0.78 MAPT (0.48) LMNAALDH1A1MAPTKMT2ANPC1

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 LMNA 1322/4885ALDH1A1 2511/4885MAPT 3532/4885

“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.