SCHEMBL414346

SCHEMBL414346

CCc1ccc(Oc2ccc(Br)cc2F)cc1C1C(=O)CC2(CCOCC2)CC1=O

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.31
SLC6A4 P31645 3/20 0.31
KCNH2 Q12809 3/20 0.31
MAPK14 Q16539 2/20 0.30
IL6 P05231 2/20 0.30
TLR7 Q9NYK1 2/20 0.30
PTGS2 P35354 4/20 0.30
PTGS1 P23219 1/20 0.30
TP53 P04637 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL417562 0.84 BACE1 (0.33) TP53
SCHEMBL10195048 0.79 MAPK14 (0.32) MAPK14
SCHEMBL402927 0.71 TP53 (0.34) HTR2ASLC6A4KCNH2MAPK14PTGS2
SCHEMBL414221 0.70 SLC6A4 (0.40) HTR2ASLC6A4KCNH2
SCHEMBL2994640 0.70 CYP11B2 (0.35) PTGS2PTGS1
SCHEMBL3716646 0.69 TP53 (0.34) HTR2ASLC6A4KCNH2PTGS2PTGS1
SCHEMBL16351650 0.69 MAPK14 (0.32) HTR2ASLC6A4KCNH2MAPK14
SCHEMBL10195168 0.68 SLC6A4 (0.38) HTR2ASLC6A4KCNH2MAPK14
SCHEMBL10195320 0.68 HTR2A (0.35) HTR2ASLC6A4KCNH2TP53
SCHEMBL419382 0.68 ALDH1A1 (0.40) TP53

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 HTR2A 1192/4885SLC6A4 1501/4885KCNH2 1267/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885SLC6A4 1443/4885KCNH2 1805/4885

“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.