SCHEMBL4131420

SCHEMBL4131420

CCCCCCCCCCCCCCCCN(C(N)=O)C(CCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.31
CES1 P23141 3/20 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
SCHEMBL4126709 0.82 BBOX1 (0.36) CES2CES1
Acetic Acid SCHEMBL10339729 0.75 SOAT1 (0.40) CES2CES1
SCHEMBL2923879 0.73 CES2 (0.38) CES2CES1
SCHEMBL2921196 0.73 CES2 (0.38) CES2CES1
SCHEMBL10340646 0.72 BBOX1 (0.39)
Acetic Acid SCHEMBL1034253 0.70 CES2 (0.35) CES2CES1
Acetic Acid SCHEMBL13835081 0.70 CES2 (0.35) CES2CES1
SCHEMBL8394457 0.70 LMNA (0.33) CES2
SCHEMBL6414995 0.69 CA1 (0.45)
SCHEMBL27477241 0.69 CA1 (0.36) CES2CES1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105238-A1 Compounds and Relative use for the Control of Phytopathogens ISAGRO RICERCA S.R.L (IT) 2009-04-23 US claimed
EP-1937063-A1 COMPOUNDS AND RELATIVE USE FOR THE CONTROL OF PHYTOPATHOGENS Isagro Ricerca S.r.l. (IT) 2008-07-02 EP claimed
WO-2007045386-A1 COMPOUNDS AND RELATIVE USE FOR THE CONTROL OF PHYTOPATHOGENS ISAGRO RICERCA S.R.L. (IT) 2007-04-26 WO claimed
CN-101316509-B Compounds and relative use for the control of phytopathogens ISAGRO RICERCA SRL 2011-11-09 CN disclosed
US-20090105238-A1 Compounds and Relative use for the Control of Phytopathogens ISAGRO RICERCA S.R.L (IT) 2009-04-23 US disclosed
CN-101316509-A Compounds and relative use for the control of phytopathogens ISAGRO RICERCA SRL (IT) 2008-12-03 CN disclosed
EP-1937063-A1 COMPOUNDS AND RELATIVE USE FOR THE CONTROL OF PHYTOPATHOGENS Isagro Ricerca S.r.l. (IT) 2008-07-02 EP disclosed
WO-2007045386-A1 COMPOUNDS AND RELATIVE USE FOR THE CONTROL OF PHYTOPATHOGENS ISAGRO RICERCA S.R.L. (IT) 2007-04-26 WO 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-20090105238-A1 Compounds and Relative use for the Control of Phytopathogens GUSB, ALG1, PGLS CES2 2700/4885CES1 2902/4885

“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.