SCHEMBL4862643

SCHEMBL4862643

CC(C)CCC(C#N)(C#N)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.35
CTSS P25774 7/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 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
SCHEMBL4870067 0.83 CTSK (0.35) CTSKCTSSMEN1KMT2A
SCHEMBL4869374 0.81 CTSK (0.33) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4869530 0.80 MEN1 (0.39) CTSKCTSSCTSLCTSBMEN1
SCHEMBL4862745 0.80 CTSK (0.32) CTSK
SCHEMBL4861141 0.79 CTSK (0.31) CTSK
SCHEMBL4869137 0.79 CTSK (0.37) CTSKCTSS
SCHEMBL27542092 0.78 CYP2D6 (0.36) CTSKMEN1KMT2ACYP2D6
SCHEMBL4867280 0.77 CTSK (0.30) CTSK
SCHEMBL4861183 0.77 CTSK (0.36) CTSKCTSS
SCHEMBL4868420 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439266-B2 Malononitrile compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
US-7439266-B2 Malononitrile compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
US-20060004092-A1 Malononitrile compound and use thereof pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-05 US disclosed
WO-2004020399-A1 MALONONITRILE COMPOUND AND USE THEREOF AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-11 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-20060004092-A1 Malononitrile compound and use thereof pesticides ME1, MAL2, ME3 CTSK 1180/4885CTSS 1041/4885CTSL 3179/4885

“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.