SCHEMBL2833266

SCHEMBL2833266

CC(C)=CCOC(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.56
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL10424971 0.84 TRPV1 (0.57) TRPV1MAPTMMP1MMP2MMP9
SCHEMBL3748244 0.84 ESR1 (0.59) TRPV1KMT2AMEN1MAPTMMP1
SCHEMBL5925543 0.83 LMNA (0.61) TRPV1MAPTMMP1MMP2MMP9
SCHEMBL3026422 0.82 KMT2A (0.51) TRPV1KMT2AMEN1MAPTCASP3
Benzoic Acid 3-Methyl-2-Butenyl Ester SCHEMBL873002 0.82 TRPV1 (0.55) TRPV1KMT2AMMP1MMP2MMP9
SCHEMBL2835005 0.81 ADRB2 (0.50) TRPV1KMT2AMEN1MMP1MMP2
SCHEMBL5301347 0.80 ALDH1A1 (0.55) TRPV1MAPTMMP1MMP2MMP9
SCHEMBL2838297 0.79 KMT2A (0.49) TRPV1KMT2AMEN1MAPTCASP3
SCHEMBL2838301 0.79 KMT2A (0.49) TRPV1KMT2AMEN1MAPTCASP3
SCHEMBL2834698 0.79 SNCA (0.58) TRPV1KMT2AMEN1MAPTCASP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595082-B Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES 2013-08-21 CN disclosed
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 TRPV1 1538/4885KMT2A 1023/4885MEN1 2371/4885

“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.