SCHEMBL4865786

SCHEMBL4865786

CCCCOC(=O)CC(C#N)(C#N)CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.39
DGKA P23743 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
FAAH O00519 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DNM1 Q05193 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL4868566 0.88 MEN1 (0.39) NAAAALDH1A1TSHRHPGDATM
SCHEMBL4861173 0.88 NAAA (0.38) NAAAALDH1A1TSHRHPGDATM
SCHEMBL4869212 0.83 RECQL (0.38) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL4870294 0.82 NAAA (0.46) NAAATSHRDGKARAD52NPSR1
SCHEMBL4869137 0.80 CTSK (0.37)
SCHEMBL27872755 0.77 NAAA (0.48) NAAAALDH1A1TSHRHPGDATM
SCHEMBL4861183 0.75 CTSK (0.36) NAAADGKA
SCHEMBL27560468 0.75 NAAA (0.47) NAAAALDH1A1TSHRHPGDATM
Ammonia Solution, Strong SCHEMBL3919338 0.75 NAAA (0.47) NAAAALDH1A1TSHRHPGDATM
SCHEMBL29013142 0.74 NAAA (0.46) NAAAALDH1A1TSHRHPGDATM

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 NAAA 428/4885ALDH1A1 239/4885TSHR 466/4885

“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.