SCHEMBL2834374

SCHEMBL2834374

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.31
FABP4 P15090 1/20 0.31
MEP1B Q16820 2/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEP1A Q16819 1/20 0.31
RIPK1 Q13546 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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) FABP4MEP1BMEP1ARIPK1
SCHEMBL1671719 0.75 CES2 (0.40) MEP1BCA12CA9MEP1A
SCHEMBL20184233 0.75 METAP2 (0.38) FABP4MEP1BCA12CA9MEP1A
SCHEMBL2832604 0.74 MEN1 (0.33)
SCHEMBL2834692 0.74 MRGPRX4 (0.45) DPP4EPHX2NR1H4CA12CA9
SCHEMBL2833475 0.74 MRGPRX4 (0.43) CA12CA9
SCHEMBL18006678 0.73 ALDH1A1 (0.42) MEP1BMEP1ARIPK1
SCHEMBL5097679 0.73 BID (0.35) FABP4
SCHEMBL2833987 0.71 CYP1A2 (0.36) DPP4EPHX2NR1H4CA12CA9
SCHEMBL2835128 0.71 FFAR1 (0.35) FABP4MEP1BMEP1ARIPK1

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 DPP4 3092/4885FABP4 2465/4885MEP1B 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.