SCHEMBL759482

SCHEMBL759482

O=C(c1ccccc1)C(Br)(CCl)CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GSK3B P49841 2/20 0.50
HIF1A Q16665 2/20 0.50
TRPA1 O75762 1/20 0.50
PTPN1 P18031 1/20 0.45
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 4/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL8914358 0.80 CES1 (0.52) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL18982981 0.78 CES1 (0.50) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL28436856 0.78 CES1 (0.50) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL10876359 0.77 CES1 (0.48) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL3132247 0.77 CES1 (0.48) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL1799477 0.76 CES1 (0.64) CES1MAPK1ALDH1A1GSK3BPTPN1
Hydrochloric Acid SCHEMBL758628 0.75 CES1 (0.47) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL7637171 0.75 SRC (0.47) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL1874832 0.75 CES1 (0.56) CES1MAPK1ALDH1A1GSK3BHIF1A
SCHEMBL1433235 0.75 CES1 (0.56) CES1MAPK1ALDH1A1GSK3BHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959742-B1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2016-11-02 EP disclosed
US-8420572-B2 Fungicidal composition containing carboxylic acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-04-16 US disclosed
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-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-09-02 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 (4 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-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE CNPY2, CBR3, ACOX3 CES1 237/4885MAPK1 3102/4885ALDH1A1 520/4885
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 1031/4885MAPK1 1368/4885ALDH1A1 1277/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CES1 547/4885MAPK1 2886/4885ALDH1A1 323/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CES1 547/4885MAPK1 2886/4885ALDH1A1 323/4885

“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.