SCHEMBL5157419

SCHEMBL5157419

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
PLK1 P53350 1/20 0.41
PPARG P37231 2/20 0.41
RAB9A P51151 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GCGR P47871 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 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
SCHEMBL5157616 0.91 LMNA (0.41) ALDH1A1KMT2AMEN1GCGRLMNA
SCHEMBL5157650 0.91 SMN1; SMN2 (0.40) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL5154562 0.90 KMT2A (0.44) RAB9AALDH1A1KMT2AMEN1GAA
SCHEMBL5157740 0.89 MRGPRX4 (0.43) MRGPRX4PLK1PPARGRAB9ANCOA3
SCHEMBL5157597 0.87 MRGPRX4 (0.41) MRGPRX4PLK1PPARGRAB9ANCOA3
SCHEMBL5159656 0.86 MRGPRX4 (0.40) MRGPRX4PLK1PPARGRAB9ANCOA3
SCHEMBL6816474 0.85 GAA (0.52) ALDH1A1KMT2AMEN1TP53LMNA
SCHEMBL5157206 0.80 CTSD (0.41) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL5154554 0.79 LMNA (0.42) RAB9AALDH1A1KMT2AMEN1GCGR
SCHEMBL5157309 0.79 LMNA (0.38) RAB9AKMT2AMEN1GCGRLMNA

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 205/4885PLK1 4354/4885PPARG 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.