SCHEMBL2833475

SCHEMBL2833475

CC#CCc1cccc(C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALB P02768 1/20 0.40
CLCN2 P51788 1/20 0.39
HMGB1 P09429 1/20 0.38
KAT6A Q92794 1/20 0.38
FOLH1 Q04609 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL576104 0.83 CA12 (0.50) CA12CA9KDM4ENPC1RAB9A
SCHEMBL28844005 0.81 MRGPRX4 (0.46) MRGPRX4ALBCLCN2HMGB1FOLH1
SCHEMBL4238088 0.79 KAT6A (0.54) MRGPRX4KDM4EALBCLCN2HMGB1
SCHEMBL2831435 0.77 ALB (0.47) CA12CA9KDM4ENPC1RAB9A
SCHEMBL17294845 0.75 MRGPRX4 (0.49) MRGPRX4KDM4EALBCLCN2HMGB1
SCHEMBL1401459 0.75 MRGPRX4 (0.49) MRGPRX4KDM4EALBCLCN2HMGB1
SCHEMBL27517607 0.75 MRGPRX4 (0.49) MRGPRX4ALBCLCN2HMGB1KAT6A
SCHEMBL2834382 0.74 DCLRE1B (0.42) CA12CA9KDM4ENPC1RAB9A
SCHEMBL2833987 0.74 CYP1A2 (0.36) CA12CA9KDM4ENPC1RAB9A
SCHEMBL2834374 0.74 DPP4 (0.31) CA12CA9

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 MRGPRX4 4638/4885CA12 71/4885CA9 27/4885

“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.