SCHEMBL759753

SCHEMBL759753

COCC(N)(COC)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.49
SRC P12931 1/20 0.49
TSHR P16473 4/20 0.44
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
AKT1 P31749 1/20 0.42
POLB P06746 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
CES2 O00748 2/20 0.39
TDP1 Q9NUW8 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9559908 0.84 CES1 (0.47) CES1SRCTSHRMAPK1HIF1A
SCHEMBL13044332 0.82 ALDH1A1 (0.46) CES1SRCTSHRMAPK1HIF1A
Hydrochloric Acid SCHEMBL3741200 0.81 ALDH1A1 (0.44) CES1SRCTSHRMAPK1HIF1A
SCHEMBL761476 0.79 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL757100 0.79 CES1 (0.50) CES1SRCTSHRMAPK1HIF1A
SCHEMBL7637442 0.79 SRC (0.55) CES1SRCTSHRMAPK1HIF1A
SCHEMBL28167005 0.79 CES1 (0.48) CES1SRCTSHRMAPK1POLB
SCHEMBL10458129 0.78 CES1 (0.53) CES1SRCTSHRMAPK1HIF1A
SCHEMBL28581432 0.78 CES1 (0.53) CES1SRCTSHRMAPK1HIF1A
SCHEMBL11289136 0.78 CES1 (0.53) CES1SRCTSHRMAPK1HIF1A

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
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 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 (3 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-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH CES1 1031/4885SRC 4004/4885TSHR 2313/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CES1 547/4885SRC 2761/4885TSHR 2135/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CES1 547/4885SRC 2761/4885TSHR 2135/4885

“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.