SCHEMBL2835387

SCHEMBL2835387

CCCC#Cc1cc(F)c(C(=O)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.39
FFAR1 O14842 7/20 0.36
FFAR4 Q5NUL3 6/20 0.36
MMP2 P08253 1/20 0.35
MMP12 P39900 1/20 0.35
TNK2 Q07912 1/20 0.35
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
PLK1 P53350 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
CHRNA4 P43681 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL5097670 0.89 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL2837861 0.80 RARB (0.45) HAO1FFAR1FFAR4MMP2MMP12
SCHEMBL19328868 0.75 KMT2A (0.36) FFAR1FFAR4
SCHEMBL3595988 0.72 HAO1 (0.36) HAO1FFAR1FFAR4
SCHEMBL19328869 0.72 HAO1 (0.36) HAO1FFAR1FFAR4
SCHEMBL1023757 0.72 GRM5 (0.41) HAO1PAX8
SCHEMBL20741074 0.71 PTPN11 (0.55) PTPN11
SCHEMBL2833710 0.71 FFAR1 (0.35) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL6708153 0.70 MMP2 (0.54) HAO1FFAR1FFAR4MMP2MMP12
SCHEMBL2835265 0.70 RAB9A (0.44) FFAR1FFAR4MMP2MMP12HCAR2

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 HAO1 3522/4885FFAR1 2223/4885FFAR4 1850/4885

“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.