SCHEMBL4612367

SCHEMBL4612367

COCC#CC(C)(C)NC(=O)C(COC)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GRN P28799 3/20 0.32
SORT1 Q99523 3/20 0.32
HPGD P15428 1/20 0.30

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
SCHEMBL4614473 0.81 HTRA1 (0.33) ALDH1A1GRNSORT1
SCHEMBL6250848 0.78 ALDH1A1 (0.33) ALDH1A1GRNSORT1HPGD
SCHEMBL3940781 0.77 TSHR (0.33) ALDH1A1GRNSORT1HPGD
SCHEMBL5160582 0.73 HTRA1 (0.35)
SCHEMBL4613232 0.72
SCHEMBL4614625 0.72 L3MBTL1 (0.42) ALDH1A1GRNSORT1HPGD
SCHEMBL27406402 0.71 ALDH1A1 (0.39) ALDH1A1GRNSORT1HPGD
SCHEMBL4612486 0.70 ALDH1A1 (0.38) ALDH1A1GRNSORT1HPGD
SCHEMBL4612427 0.70 GRN (0.33) ALDH1A1GRNSORT1HPGD
SCHEMBL5159645 0.69 HTRA1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567480-B1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2008-03-12 EP disclosed
US-7271130-B2 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2007-09-18 US disclosed
US-20060194763-A1 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-08-31 US disclosed
EP-1567480-A1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004048316-A1 N-ALKYNYL-2- (SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 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-20060194763-A1 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides CYP4X1, PRXL2A, CYP1A2 ALDH1A1 1112/4885GRN 3105/4885SORT1 2334/4885

“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.