SCHEMBL4174748

SCHEMBL4174748

CC(Oc1c(CBr)c(C(F)(F)F)nn1C)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1028460 0.85 ALOX5AP (0.32) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL4167882 0.84 CYP1A2 (0.31) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL4170216 0.82 ALOX5AP (0.31) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL3753144 0.77 KMT2A (0.33) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL5374117 0.77 ALOX5AP (0.33) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL4171199 0.74 MAPK1 (0.34) ALOX5APFEN1
SCHEMBL4216676 0.73 ALOX5AP (0.33) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL3158849 0.73 GAA (0.32) ALOX5APFEN1
SCHEMBL537532 0.73 SMN1; SMN2 (0.35) ALOX5APFEN1MEN1CYP1A2CYP2C9
SCHEMBL4173053 0.72 ALOX5AP (0.34) ALOX5APFEN1MEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048112-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-19 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 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-20090048112-A1 Novel Herbicides HAX1, MTX1, CYP4X1 ALOX5AP 4311/4885FEN1 2128/4885MEN1 1520/4885
US-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 ALOX5AP 2544/4885FEN1 2600/4885MEN1 3398/4885

“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.