SCHEMBL4861173

SCHEMBL4861173

CCCCOC(=O)CC(C#N)(C#N)CCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.35
DGKA P23743 1/20 0.34
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 0.33
ESR1 P03372 1/20 0.32
HTR2C P28335 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4870294 0.94 NAAA (0.46) NAAATSHRDGKARAD52NPSR1
SCHEMBL4865786 0.88 NAAA (0.42) NAAAALDH1A1TSHRHPGDCYP2C9
SCHEMBL4869155 0.85
SCHEMBL4869286 0.84 KMT2A (0.38) ALDH1A1TSHRHPGDNPSR1MEN1
SCHEMBL4871736 0.82
SCHEMBL4869103 0.80
SCHEMBL4861801 0.80 HTT (0.37)
SCHEMBL4867083 0.79
SCHEMBL4867861 0.78 TSHR (0.32) ALDH1A1TSHRHPGDCYP2C19
SCHEMBL4861798 0.78 TSHR (0.35) TSHRTDP1L3MBTL1

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.