SCHEMBL413841

SCHEMBL413841

CCc1ccc(Oc2cccc(F)c2)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 3/20 0.42
MMP13 P45452 1/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP19A1 P11511 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
KLKB1 P03952 4/20 0.37
ABL1 P00519 1/20 0.36
SCN9A Q15858 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MAOB P27338 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN3A Q9NY46 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL416156 0.82 MMP14 (0.36) MMP14MMP13PTGS1PTGS2CYP19A1
SCHEMBL1741598 0.82 PTGS1 (0.38) MMP14MMP13PTGS1PTGS2CYP19A1
SCHEMBL417277 0.78 BACE1 (0.41) SCN9ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL406720 0.76 CTSD (0.40) SLC6A4KCNH2HIF1A
SCHEMBL10195013 0.76 MMP14 (0.37) MMP14MMP13PTGS1PTGS2CYP19A1
SCHEMBL415548 0.76 PGR (0.36) SLC6A4KCNH2
SCHEMBL413847 0.76 HSPB1 (0.45) KDM4E
SCHEMBL414079 0.75 MEN1 (0.35) KDM4E
SCHEMBL1742467 0.75 ALDH1A1 (0.38) MMP14MMP13CYP19A1SLC6A4MAOB
SCHEMBL417363 0.72 HSD17B3 (0.38) OPRM1OPRD1KDM4E

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 3630/4885MMP13 3711/4885PTGS1 3462/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MMP14 3917/4885MMP13 4116/4885PTGS1 3087/4885

“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.