SCHEMBL2833936

SCHEMBL2833936

Cc1ccc(OC(=O)c2ccccc2F)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL28870122 0.84 MAPT (0.52) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2831397 0.84 KMT2A (0.54) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2835056 0.84 L3MBTL1 (0.56) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2830641 0.83 KMT2A (0.54) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL8205686 0.83 HSD17B10 (0.55) MAPTKMT2AALDH1A1L3MBTL1HPGD
SCHEMBL2833924 0.81 MAPT (0.55) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2877383 0.80 KMT2A (0.54) MAPTCYP2C19KMT2ACYP3A4CYP2C9
SCHEMBL12919771 0.79 HSD17B10 (0.59) CYP1A2KMT2AALDH1A1CYP2C9L3MBTL1
SCHEMBL2831396 0.78 KMT2A (0.69) MAPTCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL9421256 0.78 KMT2A (0.52) MAPTKMT2AL3MBTL1

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.