SCHEMBL2838170

SCHEMBL2838170

Cc1ccc(OC(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
HIF1A Q16665 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 4/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
KLK7 P49862 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PTK2B Q14289 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 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
SCHEMBL16582504 0.90 LMNA (0.48) MAPTCYP1A2CYP2C19HIF1ALMNA
SCHEMBL18636249 0.90 MAPT (0.54) MAPTCYP1A2CYP2C19LMNAKMT2A
SCHEMBL2831243 0.90 CES2 (0.57) MAPTHIF1ACES2CES1KMT2A
SCHEMBL18121571 0.86 CPS1 (0.54) MAPTCYP1A2CYP2C19KMT2AMEN1
SCHEMBL17355726 0.84 HIF1A (0.52) MAPTCYP1A2CYP2C19HIF1ACES2
SCHEMBL18853806 0.84 MAPT (0.58) MAPTCYP1A2CYP2C19LMNAKMT2A
SCHEMBL2835445 0.83 CES2 (0.53) MAPTCYP1A2CYP2C19HIF1ACES2
SCHEMBL364782 0.83 MAPT (0.50) MAPTCYP1A2CYP2C19LMNAKMT2A
SCHEMBL19626925 0.81 ESR1 (0.57) MAPTHIF1ACES2CES1LMNA
SCHEMBL10091154 0.81 MAPT (0.58) MAPTCYP1A2CYP2C19LMNAKMT2A

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 MAPT 3532/4885CYP1A2 3539/4885CYP2C19 1094/4885

“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.