SCHEMBL416156

SCHEMBL416156

CCc1ccc(Oc2ccc(Cl)cc2)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 3/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MMP13 P45452 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 2/20 0.35
BACE1 P56817 2/20 0.34
LMNA P02545 2/20 0.34
CYP19A1 P11511 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARG P37231 1/20 0.33
CTSD P07339 1/20 0.32
VEGFA P15692 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL1742467 0.90 ALDH1A1 (0.38) MMP14MAOAMAOBMMP13HTR2A
SCHEMBL3034996 0.83 PGR (0.40) ALDH1A1BACE1
SCHEMBL414079 0.82 MEN1 (0.35) ALDH1A1LMNA
SCHEMBL413841 0.82 MMP14 (0.42) MMP14MAOBMMP13SLC6A4KCNH2
SCHEMBL411018 0.79 PNLIP (0.36) MMP14MAOAMAOBMMP13SLC6A4
SCHEMBL406720 0.76 CTSD (0.40) HTR2ASLC6A4KCNH2ALDH1A1BACE1
SCHEMBL1743662 0.76 CCR6 (0.34) MAOAMAOBALDH1A1BACE1LMNA
SCHEMBL868403 0.76 MARS1 (0.36) ALDH1A1PTGS2
SCHEMBL407384 0.76 MAOA (0.36) MMP14MAOAMAOBMMP13HTR2A
SCHEMBL3029638 0.75 PGR (0.34)

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 MMP14 3630/4885MAOA 1359/4885MAOB 1215/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MMP14 3917/4885MAOA 2359/4885MAOB 2064/4885

“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.