SCHEMBL5159878

SCHEMBL5159878

C#CCOc1ccc(CONC(=O)C(OCC#C)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
RAB9A P51151 3/20 0.41
PPARG P37231 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
PLK1 P53350 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL5159877 0.93 MRGPRX4 (0.40) MRGPRX4RAB9APPARGNCOA3HDAC1
SCHEMBL5156860 0.91 CYP2B6 (0.38) MRGPRX4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5157266 0.91 HTT (0.40) RAB9AHDAC1SMN1; SMN2HDAC2ALDH1A1
SCHEMBL5157778 0.90 TRPM8 (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL5159103 0.89 MRGPRX4 (0.43) MRGPRX4RAB9APPARGNCOA3HDAC1
SCHEMBL5154362 0.87 MRGPRX4 (0.43) MRGPRX4RAB9APPARGNCOA3HDAC1
Mandipropamid SCHEMBL29379242 0.85 GAA (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
Mandipropamid SCHEMBL22338 0.85 GAA (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
Mandipropamid SCHEMBL675075 0.85 GAA (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL5157273 0.84 FFAR1 (0.37) PPARGMEN1KMT2ACTSDCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US claimed
EP-1549609-B1 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2007-01-24 EP claimed
US-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. 2006-07-27 US claimed
EP-1549609-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS Syngenta Participations AG (CH) 2005-07-06 EP claimed
WO-2004033413-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO claimed
US-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US disclosed
EP-1549609-B1 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2007-01-24 EP disclosed
US-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. 2006-07-27 US disclosed
EP-1549609-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS Syngenta Participations AG (CH) 2005-07-06 EP disclosed
WO-2004033413-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 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-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms GRHPR, CBR3, CYP8B1 MRGPRX4 205/4885RAB9A 1930/4885PPARG 1521/4885

“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.