SCHEMBL2835128

SCHEMBL2835128

CC=CCc1ccc(F)c(C(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.35
FFAR4 Q5NUL3 4/20 0.35
MEP1B Q16820 2/20 0.33
MEP1A Q16819 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
FABP4 P15090 1/20 0.31
JAK2 O60674 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RIPK1 Q13546 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL7799718 0.79 METAP2 (0.39) MEP1BMEP1AFABP4RIPK1METAP2
SCHEMBL1671719 0.79 CES2 (0.40) MEP1BMEP1ATDP1METAP2
SCHEMBL20184233 0.75 METAP2 (0.38) MEP1BMEP1ATDP1FABP4HPGD
SCHEMBL2833614 0.74 MRGPRX4 (0.45) FFAR1FFAR4HPGDHTT
SCHEMBL2831021 0.74 HMGB1 (0.45) HPGD
SCHEMBL2834468 0.74 CA1 (0.32) FFAR1FFAR4
SCHEMBL18006678 0.73 ALDH1A1 (0.42) MEP1BMEP1ATDP1RIPK1
SCHEMBL2832593 0.71 CES2 (0.35) FFAR1FFAR4
SCHEMBL2834374 0.71 DPP4 (0.31) MEP1BMEP1AFABP4RIPK1
SCHEMBL6132241 0.71 CYP1A2 (0.32)

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 FFAR1 2223/4885FFAR4 1850/4885MEP1B 979/4885

“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.