SCHEMBL417277

SCHEMBL417277

CCc1ccc(Oc2cccc(C(F)(F)F)n2)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
SCN9A Q15858 2/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
MGLL Q99685 1/20 0.37
FPR2 P25090 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
LOXL2 Q9Y4K0 11/20 0.35
LOX P28300 7/20 0.35
P2RX3 P56373 2/20 0.33
MAPT P10636 1/20 0.33
LOXL3 P58215 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1742199 0.82 ALOX5AP (0.35) BACE1SCN9ASCN7AKCNH2MGLL
SCHEMBL10195034 0.79 BACE1 (0.37) BACE1SCN9ASCN7AKCNH2MGLL
SCHEMBL413841 0.78 MMP14 (0.42) SCN9AKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL406549 0.74 MAPK1 (0.51) SCN9AMAPT
SCHEMBL416156 0.74 MMP14 (0.36) BACE1KCNH2SLC6A4
SCHEMBL9105297 0.69 LOXL2 (0.45) BACE1SCN9ASCN7AKCNH2MGLL
SCHEMBL413847 0.68 HSPB1 (0.45) MAPT
SCHEMBL415548 0.68 PGR (0.36) BACE1KCNH2MAPTSLC6A4
SCHEMBL1742467 0.67 ALDH1A1 (0.38) BACE1KCNH2P2RX3SLC6A4
SCHEMBL3034754 0.67 PDE3B (0.41) KCNH2

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
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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 (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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1253/4885SCN9A 1880/4885SCN7A 2536/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885SCN9A 2224/4885SCN7A 2533/4885

“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.