SCHEMBL4656238

SCHEMBL4656238

N#CC(C#N)(CCC(F)(F)F)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
BCHE P06276 5/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NR4A2 P43354 1/20 0.45
SGMS2 Q8NHU3 1/20 0.43

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
SCHEMBL4658796 0.83 TAAR1 (0.42) MAOB
SCHEMBL4657447 0.80 ATM (0.40)
SCHEMBL4657339 0.76 TAAR1 (0.39) MAOB
SCHEMBL4656626 0.75 TAAR1 (0.45) MAOB
SCHEMBL4657615 0.75 TAAR1 (0.38) MAOB
SCHEMBL4656615 0.75 PNMT (0.40)
SCHEMBL6647608 0.73 MGLL (0.64) MAOBBCHECYP4F2CYP4A11
SCHEMBL24861854 0.71 MAOB (0.62) MAOBBCHECYP4F2CYP4A11NR4A2
SCHEMBL1636426 0.71 BCHE (0.58) MAOBBCHECYP4F2CYP4A11NR4A2
SCHEMBL278432 0.71 MAOB (0.62) MAOBBCHECYP4F2CYP4A11NR4A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 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 (2 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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 MAOB 3507/4885BCHE 96/4885CYP4F2 796/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 MAOB 4454/4885BCHE 231/4885CYP4F2 818/4885

“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.