SCHEMBL3763828

SCHEMBL3763828

CC(C)(C)C(=O)C#CCOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GCK P35557 1/20 0.34
GRM5 P41594 1/20 0.32
KDM4C Q9H3R0 1/20 0.30
RORC P51449 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3149260 0.87 MEN1 (0.38) MEN1KMT2AGCKGRM5RORC
SCHEMBL534143 0.87 MEN1 (0.38) MEN1KMT2AGCKGRM5RORC
SCHEMBL1412531 0.86 MEN1 (0.39) MEN1KMT2AGCKGRM5KDM4C
SCHEMBL24167283 0.86 MEN1 (0.44) MEN1KMT2AGCKGRM5KDM4C
SCHEMBL15273799 0.85 MEN1 (0.39) MEN1KMT2AGCKGRM5KDM4C
SCHEMBL1412418 0.84 MEN1 (0.38) MEN1KMT2AGCKGRM5NPC1
SCHEMBL7188169 0.82 MEN1 (0.37) MEN1KMT2AGCKGRM5
SCHEMBL3040756 0.82 MEN1 (0.36) MEN1KMT2AGCKGRM5KDM4C
SCHEMBL1513547 0.81 MEN1 (0.36) MEN1KMT2AGCKGRM5NPC1
SCHEMBL10576592 0.80 MEN1 (0.38) MEN1KMT2AGCKGRM5KDM4C

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
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 MEN1 929/4885KMT2A 3120/4885GCK 1358/4885

“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.