SCHEMBL4612427

SCHEMBL4612427

CC#CC(C)(C)NC(=O)C(COC)Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
HTRA1 Q92743 5/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 2/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
OGG1 O15527 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
SCHEMBL4612652 0.94 HTRA1 (0.32) HTRA1ANO1
SCHEMBL4614473 0.90 HTRA1 (0.33) GRNSORT1HTRA1ALDH1A1
SCHEMBL6252988 0.89 HTRA1 (0.31) GRNSORT1HTRA1ALDH1A1
SCHEMBL4612394 0.88 GRN (0.33) GRNSORT1HTRA1ALDH1A1HPGD
SCHEMBL4613689 0.88 SMN1; SMN2 (0.33) ALDH1A1HPGD
SCHEMBL4616219 0.88 PKM (0.35) GRNSORT1HTRA1ALDH1A1CARM1
SCHEMBL5160918 0.88 HTRA1 (0.35) HTRA1
SCHEMBL4613305 0.81 HTRA1 (0.34) HTRA1
SCHEMBL5914746 0.81 OGG1 (0.32) ALDH1A1CARM1PRMT6ANO1OGG1
SCHEMBL3940781 0.80 TSHR (0.33) GRNSORT1HTRA1ALDH1A1HPGD

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 GRN 3105/4885SORT1 2334/4885HTRA1 2403/4885

“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.