SCHEMBL5157778

SCHEMBL5157778

C#CCOc1ccc(CONC(=O)C(OCC#C)c2ccccc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
DRD2 P14416 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.39
APP P05067 1/20 0.39
LDHA P00338 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 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
SCHEMBL5160128 0.93 TRPM8 (0.41) TRPM8NPC1RAB9APKMDRD2
SCHEMBL5157266 0.90 HTT (0.40) NPC1RAB9APKMDRD2ALDH1A1
SCHEMBL5159878 0.90 MRGPRX4 (0.43) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL5158374 0.88 DRD2 (0.42) TRPM8NPC1RAB9APKMDRD2
SCHEMBL5156860 0.87 CYP2B6 (0.38) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6231553 0.84 KMT2A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL6230786 0.84 KMT2A (0.48) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL5157018 0.84 HTT (0.37) TRPM8NPC1RAB9AKMT2AMEN1
SCHEMBL5159877 0.84 MRGPRX4 (0.40) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5157273 0.81 FFAR1 (0.37) KMT2AMEN1LMNA

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 TRPM8 4644/4885NPC1 3897/4885RAB9A 1930/4885

“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.