SCHEMBL5157597

SCHEMBL5157597

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
RAB9A P51151 2/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CTSD P07339 3/20 0.40
ALDH1A1 P00352 2/20 0.39
REN P00797 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CXCR3 P49682 2/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HDAC2 Q92769 1/20 0.37
PLK1 P53350 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL5157693 0.92 NPC1 (0.38) PPARGPPARDPPARARAB9AALDH1A1
SCHEMBL5154955 0.91 CTSD (0.38) PPARGPPARDPPARARAB9ACTSD
SCHEMBL14621031 0.91 NPC1 (0.37) PPARGPPARDPPARARAB9ACTSD
SCHEMBL5155175 0.91 HTT (0.40) RAB9AALDH1A1RENKMT2AHDAC1
SCHEMBL5157674 0.90 TRPM8 (0.42) CTSDALDH1A1KMT2AMEN1
SCHEMBL5159103 0.89 MRGPRX4 (0.43) MRGPRX4PPARGRAB9ANCOA3CTSD
SCHEMBL5157419 0.87 MRGPRX4 (0.41) MRGPRX4PPARGPPARDPPARARAB9A
SCHEMBL5159877 0.86 MRGPRX4 (0.40) MRGPRX4PPARGPPARDPPARARAB9A
SCHEMBL6816474 0.85 GAA (0.52) CTSDALDH1A1KMT2AGAAMEN1
SCHEMBL5157210 0.82 KMT2A (0.39) RAB9AALDH1A1KMT2AGAAMEN1

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
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
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
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
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 205/4885PPARG 1521/4885PPARD 1371/4885

“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.