SCHEMBL419429

SCHEMBL419429

CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1C1C(=O)C2CCC(C)(C1=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.38
HTR2A P28223 5/20 0.37
SLC6A4 P31645 5/20 0.37
KCNH2 Q12809 5/20 0.37
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL419428 1.00 FFAR1 (0.38) FFAR1HTR2ASLC6A4KCNH2HSD11B1
SCHEMBL13286407 0.77 FFAR1 (0.37) FFAR1HTR2ASLC6A4KCNH2HSD11B1
SCHEMBL10195004 0.77 FFAR1 (0.37) FFAR1HTR2ASLC6A4KCNH2HSD11B1
SCHEMBL416125 0.75 NR1I2 (0.34) HSD11B1MAPT
SCHEMBL10195198 0.69 KDM4E (0.36) HTR2ASLC6A4KCNH2HSD11B1HIF1A
SCHEMBL13286426 0.69 KDM4E (0.36) HTR2ASLC6A4KCNH2HSD11B1HIF1A
SCHEMBL10195428 0.68 HTR2A (0.33) HTR2ASLC6A4KCNH2PTGDR2
SCHEMBL414221 0.68 SLC6A4 (0.40) HTR2ASLC6A4KCNH2MAPTHIF1A
SCHEMBL418343 0.67 FFAR1 (0.40) FFAR1SLC6A4MAPTMRGPRX4HIF1A
SCHEMBL10195531 0.66 FFAR1 (0.40) FFAR1HTR2ASLC6A4KCNH2PTGDR2

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 FFAR1 1022/4885HTR2A 1192/4885SLC6A4 1501/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 FFAR1 752/4885HTR2A 1320/4885SLC6A4 1443/4885

“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.