SCHEMBL4870392

SCHEMBL4870392

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4863200 0.83 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL4861767 0.81 MEN1 (0.36) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL4863161 0.77 MEN1 (0.38) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL4869192 0.75 MEN1 (0.37) ALDH1A1TSHRMEN1KMT2ANPSR1
SCHEMBL17034714 0.73 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL25979049 0.72 MEN1 (0.44) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL7515108 0.70 MEN1 (0.44) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL15835008 0.70 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL28470194 0.70 MEN1 (0.38) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL9796662 0.69 MMP8 (0.36) ALDH1A1TSHRCYP2C9MEN1KMT2A

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 ALDH1A1 239/4885TSHR 466/4885CYP2C9 187/4885

“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.