SCHEMBL3945993

SCHEMBL3945993

CCC(Oc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)C#CCCCCl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3945884 0.90 POLB (0.30) POLBGAA
SCHEMBL3946084 0.89 ALDH1A1 (0.31) ALDH1A1POLBGAA
SCHEMBL3946333 0.89 PKM (0.32) ALDH1A1POLBGAANPSR1
SCHEMBL3939634 0.89 MEN1 (0.31)
SCHEMBL3941867 0.88
SCHEMBL3946456 0.87
SCHEMBL4616219 0.85 PKM (0.35) ALDH1A1POLBGAANPSR1
SCHEMBL3940781 0.84 TSHR (0.33) ALDH1A1POLBGAANPSR1
SCHEMBL3937933 0.82 TNIK (0.35) ALDH1A1POLBGAAKDM4E
SCHEMBL6249338 0.81 MEN1 (0.30) ALDH1A1POLBGAA

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-1567479-B1 FUNGICIDES SYNGENTA LTD (GB) 2009-04-15 EP disclosed
US-7420090-B2 Fungicides SYNGENTA LIMITED (GB) 2008-09-02 US disclosed
US-20060240988-A1 N-Alkynyl-2-(substituted phenoxy)alkylamides, e.g., 2-(3,5-dichlorophenoxy)-N-(1-tert-butyldimethylsilyloxy-4-methylpent-2-yn-4-yl)butyramide; applying to plants, their seeds or to soils SYNGENTA LIMITED (GB) 2006-10-26 US disclosed
EP-1567479-A1 FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004048315-A1 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-20060240988-A1 N-Alkynyl-2-(substituted phenoxy)alkylamides, e.g., 2-(3,5-dichlorophenoxy)-N-(1-tert-butyldimethylsilyloxy-4-methylpent-2-yn-4-yl)butyramide; applying to plants, their seeds or to soils CBR3, CBR1, DECR1 ALDH1A1 2154/4885POLB 3860/4885GAA 2834/4885

“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.