SCHEMBL6839306

SCHEMBL6839306

C=CCC(C#N)(C#N)Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
IDO1 P14902 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
MIF P14174 1/20 0.32
DPP4 P27487 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AOC2 O75106 1/20 0.31
AOC3 Q16853 1/20 0.31
AGXT P21549 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
SCHEMBL6835174 0.83 TAAR1 (0.38) MAOBIDO1ESR1ESR2MIF
SCHEMBL6827059 0.82 CYP2A6 (0.42) ESR1ESR2TAAR1
SCHEMBL6824050 0.82 PYCR1 (0.39) MAOAMAOBIDO1ESR1ESR2
SCHEMBL6826921 0.82 LOXL2 (0.42) SMN1; SMN2MAOAMAOBIDO1LOXL2
SCHEMBL6821444 0.82 ATM (0.37) IDO1ESR1ESR2TAAR1AGXT
SCHEMBL6821483 0.82 SLC6A4 (0.40) SMN1; SMN2MAOAMAOBIDO1ESR1
SCHEMBL6839275 0.82 ALDH1A1 (0.39) ESR1ESR2
SCHEMBL6841637 0.79 ALDH1A1 (0.36) SMN1; SMN2MAOBAOC3
SCHEMBL6824249 0.79 PTPRZ1 (0.44)
SCHEMBL6827131 0.78 IDO1 (0.36) SMN1; SMN2MAOBIDO1ESR1ESR2

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 1 patent. 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

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 SMN1; SMN2 1907/4885MAOA 4042/4885MAOB 4093/4885

“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.