SCHEMBL406549

SCHEMBL406549

CCc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
THRB P10828 1/20 0.44
SCN9A Q15858 12/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR1 O14842 1/20 0.43
LIPE Q05469 2/20 0.43
LMNA P02545 1/20 0.43
SCN10A Q9Y5Y9 2/20 0.41

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
SCHEMBL3718339 0.82 MAPK1 (0.51) MAPK1THRBSCN9AMAPTNPSR1
SCHEMBL10192850 0.80 MAPK1 (0.46) MAPK1THRBSCN9ALMNASCN10A
SCHEMBL10195117 0.77 MAPK1 (0.45) MAPK1THRBSCN9AMAPTNPSR1
SCHEMBL417277 0.74 BACE1 (0.41) SCN9AMAPT
SCHEMBL406309 0.74 CYP1A2 (0.42) MAPTNPSR1LMNA
SCHEMBL1742467 0.74 ALDH1A1 (0.38) LMNA
SCHEMBL406720 0.72 CTSD (0.40) MAPT
SCHEMBL402927 0.70 TP53 (0.34)
SCHEMBL16519819 0.70 MAPK1 (0.74) MAPK1THRBLIPELMNA
SCHEMBL9108246 0.69 LMNA (0.63) MAPK1THRBSCN9AMAPTNPSR1

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 MAPK1 2263/4885THRB 1157/4885SCN9A 2224/4885

“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.