SCHEMBL4863161

SCHEMBL4863161

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL4870497 0.84 CTSK (0.38)
SCHEMBL4869192 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL4868486 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL29073002 0.80 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL28737990 0.77 MAPT (0.38) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL4870392 0.77 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL27543681 0.75 CYP4F2 (0.41) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL29072636 0.75 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL29072695 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL17034714 0.73 ALDH1A1 (0.42) MEN1KMT2AALDH1A1TSHRMAPT

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 3 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

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.