SCHEMBL2830660

SCHEMBL2830660

CCCCC#Cc1cc(F)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
HCAR1 Q9BXC0 1/20 0.41
PLA2G2A P14555 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAPT P10636 1/20 0.41
TNK2 Q07912 1/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 1/20 0.37

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
SCHEMBL5666494 0.89 MMP2 (0.48) MMP2MMP12PLA2G2AFFAR1FFAR4
SCHEMBL5669168 0.85 MMP2 (0.45) MMP2MMP12PLA2G2AFFAR1FFAR4
SCHEMBL5669437 0.80 MMP2 (0.41) MMP2MMP12PLA2G2AFFAR1FFAR4
SCHEMBL2747999 0.80 MMP2 (0.39) MMP2MMP12PLA2G2AFFAR1FFAR4
SCHEMBL2559805 0.77 MAPT (0.60) MMP2MMP12FFAR1FFAR4MAPT
SCHEMBL5666869 0.75 RARB (0.51) MMP2MMP12MAPTTP53TSHR
SCHEMBL5097670 0.75 FFAR1 (0.48) MMP2MMP12FFAR1FFAR4MAPT
SCHEMBL25339670 0.73 MAPT (0.42) MMP2MMP12FFAR1FFAR4MAPT
SCHEMBL2835012 0.72 ALDH1A1 (0.45) MMP2MMP12MAPTTP53TSHR
SCHEMBL2831444 0.72 FFAR1 (0.46) MMP2MMP12FFAR1FFAR4TNK2

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 MMP2 1012/4885MMP12 1055/4885HCAR1 4293/4885

“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.