SCHEMBL2834692

SCHEMBL2834692

CC#CCc1cc(C(=O)O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
DPP4 P27487 1/20 0.42
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
RXRA P19793 2/20 0.36
GRK6 P43250 1/20 0.36
PTK2B Q14289 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
GAA P10253 2/20 0.35

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
SCHEMBL29759273 0.79 MRGPRX4 (0.51) MRGPRX4RAB9ALMNAMAPK1HTT
SCHEMBL3684044 0.79 MRGPRX4 (0.51) MRGPRX4RAB9ALMNAMAPK1HTT
SCHEMBL1401550 0.75 MRGPRX4 (0.55) MRGPRX4RAB9ALMNAMAPK1HTT
SCHEMBL27527292 0.75 MRGPRX4 (0.48) MRGPRX4RAB9ALMNAMAPK1HTT
SCHEMBL2834374 0.74 DPP4 (0.31) DPP4EPHX2NR1H4CYP1A2CYP2C9
SCHEMBL2834382 0.74 DCLRE1B (0.42) RAB9ALMNAMAPK1HTTDPP4
SCHEMBL4259943 0.74 MRGPRX4 (0.50) MRGPRX4RAB9ALMNAMAPK1HTT
SCHEMBL4028700 0.73 EPHX2 (0.47) MRGPRX4RAB9ALMNAMAPK1HTT
Hydrochloric Acid SCHEMBL29137808 0.73 ALDH1A1 (0.59) MRGPRX4RAB9ALMNAMAPK1HTT
Hydrochloric Acid SCHEMBL29690748 0.73 ALDH1A1 (0.59) MRGPRX4RAB9ALMNAMAPK1HTT

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 4638/4885RAB9A 643/4885LMNA 1322/4885

“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.