SCHEMBL406720

SCHEMBL406720

CCc1cc(Oc2ccc(Cl)c(F)c2)ccc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
HTR2A P28223 5/20 0.40
SLC6A4 P31645 5/20 0.40
KCNH2 Q12809 5/20 0.40
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARG P37231 1/20 0.34
CETP P11597 2/20 0.33
ATF4 P18848 2/20 0.33
ICAM1 P05362 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
SCHEMBL1742467 0.86 ALDH1A1 (0.38) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL1743116 0.81 MEN1 (0.35) GAAALDH1A1MAPTHPGDKMT2A
SCHEMBL3711750 0.80 HTR2A (0.40) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL402927 0.79 TP53 (0.34) HTR2ASLC6A4KCNH2ALDH1A1KMT2A
SCHEMBL10192853 0.77 HTR2A (0.38) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL416156 0.76 MMP14 (0.36) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL413841 0.76 MMP14 (0.42) SLC6A4KCNH2HIF1A
SCHEMBL10195113 0.74 HTR2A (0.37) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL419430 0.73 CTSD (0.40) CTSDBACE1HTR2ASLC6A4KCNH2
SCHEMBL406549 0.72 MAPK1 (0.51) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2393796-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089211-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CTSD 3465/4885BACE1 1901/4885HTR2A 1320/4885

“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.