SCHEMBL4226263

SCHEMBL4226263

Cn1cc(C(F)(F)F)c(CCl)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GABRB3 P28472 1/20 0.30
HSD11B1 P28845 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
SCHEMBL18151130 0.85 GAA (0.34) KCNH2HTR2AHTR2CLMNAPOLB
SCHEMBL3155407 0.81 GAA (0.37) KCNH2HTR2AHTR2CLMNAPOLB
SCHEMBL3736131 0.81 LRRK2 (0.35) KCNH2HTR2AHTR2CLMNAPOLB
SCHEMBL3725190 0.78 HTR2A (0.36) KCNH2HTR2AHTR2CCYP1A2LRRK2
SCHEMBL3735745 0.77 KDM4E (0.34) HTR2AHTR2CCYP1A2LRRK2HSD11B1
SCHEMBL16037695 0.74
SCHEMBL28177579 0.74 LRRK2 (0.37) KCNH2HTR2AHTR2CLMNAPOLB
SCHEMBL5423132 0.71 HTR2A (0.36) HTR2AHTR2CLMNAPOLBCYP1A2
SCHEMBL14923156 0.71 LRRK2 (0.44) HTR2AHTR2CPOLBCYP1A2LRRK2
SCHEMBL16039441 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
US-20090042726-A1 Novel Herbicides SYNGENTA LIMITED (GB) 2009-02-12 US disclosed
EP-1965644-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2008-09-10 EP disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 WO disclosed
WO-2007071900-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2007-06-28 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-20090042726-A1 Novel Herbicides DDT, CBR3, CBR1 KCNH2 740/4885HTR2A 2074/4885HTR2C 1817/4885

“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.