SCHEMBL4126709

SCHEMBL4126709

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.36
CES2 O00748 4/20 0.34
CES1 P23141 3/20 0.34
SLC25A20 O43772 3/20 0.33
TP53 P04637 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL4131420 0.82 CES2 (0.31) CES2CES1
SCHEMBL2921196 0.78 CES2 (0.38) CES2CES1
SCHEMBL2923879 0.78 CES2 (0.38) CES2CES1
SCHEMBL10340646 0.77 BBOX1 (0.39) BBOX1
Acetic Acid SCHEMBL1034253 0.74 CES2 (0.35) CES2CES1TSHRMEN1KMT2A
Acetic Acid SCHEMBL13835081 0.74 CES2 (0.35) CES2CES1TSHRMEN1KMT2A
SCHEMBL6414995 0.74 CA1 (0.45) NFKB1
SCHEMBL15065991 0.69 CES2 (0.39) CES2CES1
SCHEMBL10711653 0.69 CES2 (0.39) CES2CES1
SCHEMBL20853667 0.68 CES2 (0.41) 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 4 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
US-20090105238-A1 Compounds and Relative use for the Control of Phytopathogens ISAGRO RICERCA S.R.L (IT) 2009-04-23 US 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 BBOX1 99/4885CES2 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.