SCHEMBL4870531

SCHEMBL4870531

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CES2 O00748 1/20 0.34
SMPD1 P17405 3/20 0.33
GGPS1 O95749 3/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 4/20 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
SCHEMBL4861183 0.98 CTSK (0.36) CTSSCTSKCES2SMPD1GGPS1
SCHEMBL4869137 0.94 CTSK (0.37) CTSSCTSK
SCHEMBL4870067 0.89 CTSK (0.35) CTSSCTSKMEN1KMT2A
SCHEMBL4868420 0.84
SCHEMBL4867280 0.83 CTSK (0.30) CTSK
SCHEMBL4869374 0.83 CTSK (0.33) CTSSCTSKMEN1KMT2A
SCHEMBL4868437 0.81 CNR2 (0.31)
SCHEMBL6814652 0.79 CTSK (0.36) CTSSCTSKDGKA
SCHEMBL4869530 0.79 MEN1 (0.39) CTSSCTSKMEN1KMT2A
SCHEMBL4862745 0.79 CTSK (0.32) CTSK

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 CTSS 1041/4885CTSK 1180/4885CES2 928/4885

“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.