SCHEMBL4870294

SCHEMBL4870294

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 2/20 0.40
TSHR P16473 2/20 0.40
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39
CES2 O00748 2/20 0.39
EPHX1 P07099 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL4861173 0.94 NAAA (0.38) NAAARAD52NPSR1FAAHTSHR
SCHEMBL4865786 0.82 NAAA (0.42) NAAARAD52NPSR1FAAHTSHR
SCHEMBL4869103 0.78
SCHEMBL4861801 0.77 HTT (0.37)
SCHEMBL9937456 0.77 NAAA (0.59) NAAARAD52NPSR1FAAHTSHR
SCHEMBL4867861 0.76 TSHR (0.32) TSHR
SCHEMBL4868566 0.74 MEN1 (0.39) NAAATSHRDGKA
SCHEMBL4870609 0.74 TSHR (0.35) NPSR1TSHR
SCHEMBL2487540 0.73 CES2 (0.37) FAAHTSHRCES2LPAR1LPAR3
SCHEMBL2487768 0.73 CES2 (0.37) FAAHTSHRCES2LPAR1LPAR3

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 NAAA 428/4885RAD52 3347/4885NPSR1 1086/4885

“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.