SCHEMBL4868566

SCHEMBL4868566

CCCCC(C#N)(C#N)CC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PAM P19021 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
CYP4F2 P78329 2/20 0.31

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
SCHEMBL4865786 0.88 NAAA (0.42) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL12715665 0.85 GAA (0.46) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL6818847 0.85 CYP1A2 (0.42) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4869212 0.84 RECQL (0.38) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4869137 0.81 CTSK (0.37)
SCHEMBL4869286 0.81 KMT2A (0.38) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL28333404 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL8508970 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL28143691 0.77 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL4861183 0.77 CTSK (0.36) NAAADGKA

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 MEN1 215/4885KMT2A 1348/4885ALDH1A1 239/4885

“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.