SCHEMBL6827157

SCHEMBL6827157

C=CCCC(C#N)(C#N)Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CETP P11597 8/20 0.39
DAO P14920 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TACR1 P25103 1/20 0.36
MAPK14 Q16539 1/20 0.36
KCNN3 Q9UGI6 1/20 0.35
SLC6A4 P31645 1/20 0.34
FFAR1 O14842 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 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
SCHEMBL6825070 0.87 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL6841775 0.84 ALDH1A1 (0.35) DAOSLC6A4
SCHEMBL29120106 0.76 ATM (0.39)
SCHEMBL6827098 0.75
SCHEMBL6825219 0.75 GPR84 (0.38) DAOSLC6A4FFAR1
SCHEMBL6839317 0.73 PTGES2 (0.32)
SCHEMBL6827015 0.72 LMNA (0.34) DAO
SCHEMBL4658796 0.72 TAAR1 (0.42) CHRM2CHRM1CHRM3
SCHEMBL102840 0.71 CETP (0.48) CHRM2CHRM1CHRM3CETPDAO
SCHEMBL6824683 0.71 ALDH1A1 (0.34) CARM1PRMT6

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-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 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-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 CHRM2 65/4885CHRM1 23/4885CHRM3 57/4885

“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.