SCHEMBL2833924

SCHEMBL2833924

Cc1cc(C)c(OC(=O)c2ccccc2F)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL2832749 0.83 CES2 (0.49) MAPTKMT2AALDH1A1POLBCES2
SCHEMBL16135220 0.82 ALDH1A1 (0.47) CYP1A2KMT2AALDH1A1POLBESR1
SCHEMBL29042646 0.82 HSD17B10 (0.54) MAPTKMT2AALDH1A1POLBESR1
SCHEMBL2831149 0.82 KMT2A (0.49) MAPTCYP1A2CYP2C19KMT2ACES2
SCHEMBL2833936 0.81 MAPT (0.56) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2831397 0.77 KMT2A (0.54) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2831396 0.77 KMT2A (0.69) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL17355725 0.76 MAPT (0.64) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL27988230 0.76 MAPT (0.49) MAPTKMT2AALDH1A1POLBLMNA
SCHEMBL8567451 0.75 KMT2A (0.50) MAPTCYP1A2CYP2C19KMT2AALDH1A1

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.