SCHEMBL3841906

SCHEMBL3841906

O=C(O)NN1CCCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
EPHX2 P34913 2/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HSD11B1 P28845 2/20 0.43
ADAM17 P78536 1/20 0.43
SCD5 Q86SK9 3/20 0.42
SCD O00767 2/20 0.42
POLB P06746 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PPID Q08752 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40

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
SCHEMBL8026883 0.95 HSD11B1 (0.48) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6976464 0.87 RIPK1 (0.49) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6763836 0.79 GAA (0.45) RIPK1HSD11B1
SCHEMBL28367058 0.74 NPC1 (0.55) EPHX2HSD11B1
SCHEMBL17558248 0.74 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1847627 0.74 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1853141 0.74 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3062584 0.72 RIPK1 (0.67) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8111442 0.72 CHRNB2 (0.53) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27627707 0.72 PARP14 (0.41) HSD11B1SCD5SCDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598423-B1 Herbicide resistant plant SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7563950-B2 Herbicidal compound resistant plant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-21 US disclosed
US-7521596-B2 Method for controlling weeds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-21 US disclosed
US-20060009361-A1 Method for controlling weeds SUMITOMO CHEMICAL COMPANY, LIMITED 2006-01-12 US disclosed
US-20060005268-A1 Herbicidal compound resistant plant SUMITOMO CHEMICAL COMPANY, LIMITED 2006-01-05 US disclosed
EP-1598423-A1 Herbicide resistant plant Sumitomo Chemical Company, Limited (JP) 2005-11-23 EP 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 (2 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-20060009361-A1 Method for controlling weeds CYP4F3, CYP4X1, CYP4Z1 RIPK1 4205/4885CHRNB2 3021/4885CHRNB4 2917/4885
US-20060005268-A1 Herbicidal compound resistant plant PPOX, DDT, HPD RIPK1 3823/4885CHRNB2 4480/4885CHRNB4 4403/4885

“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.