SCHEMBL4616219

SCHEMBL4616219

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTRA1 Q92743 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
OGG1 O15527 1/20 0.32

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
SCHEMBL11602647 0.89 OGG1 (0.45) POLBGAANPSR1ALDH1A1TSHR
SCHEMBL5160452 0.88 PKM (0.35) PKM
SCHEMBL4612427 0.88 GRN (0.33) ALDH1A1CARM1PRMT6ANO1HTRA1
SCHEMBL5160782 0.88 PKM (0.36) PKMPOLBGAANPSR1ALDH1A1
SCHEMBL11511635 0.87 POLB (0.34) PKMPOLBGAANPSR1ALDH1A1
SCHEMBL6250808 0.87 POLB (0.34) PKMPOLBGAANPSR1ALDH1A1
SCHEMBL3946333 0.87 PKM (0.32) PKMPOLBGAANPSR1ALDH1A1
SCHEMBL3940781 0.87 TSHR (0.33) PKMPOLBGAANPSR1ALDH1A1
SCHEMBL11528939 0.87 NPSR1 (0.38) PKMPOLBNPSR1ALDH1A1TSHR
SCHEMBL6249581 0.86 TSHR (0.32) PKMPOLBGAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4146387-A COMPRISING AN ALKYNYL-AMIDE AND A HALOACETANILIDE STAUFFER CHEMICAL COMPANY (US) 1979-03-27 US claimed
EP-1567005-B1 FUNGICIDES SYNGENTA LTD (GB) 2008-02-20 EP disclosed
US-20060058397-A1 Fungicides SYNGENTA LIMITED (GB) 2006-03-16 US disclosed
EP-1567005-A1 FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004047537-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed
US-4146387-A COMPRISING AN ALKYNYL-AMIDE AND A HALOACETANILIDE STAUFFER CHEMICAL COMPANY (US) 1979-03-27 US disclosed
US-4116677-A N-alkyl-alpha-(substituted phenoxy) alkylamides and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1978-09-26 US 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-20060058397-A1 Fungicides CYP4X1, CYP1A1, CYP4Z1 PKM 2997/4885POLB 4056/4885GAA 1393/4885

“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.