SCHEMBL411018

SCHEMBL411018

CC1(C)OC(C)(C)C(=O)C(c2cc(Oc3ccc(Cl)cc3)ccc2OC(F)(F)F)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.36
HCRTR2 O43614 1/20 0.36
CCR6 P51684 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CHRM5 P08912 1/20 0.34
AR P10275 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL1743662 0.91 CCR6 (0.34) PNLIPHCRTR2CCR6MAOAMAOB
SCHEMBL407940 0.80 PNLIP (0.39) PNLIPHCRTR2MAOAMAOBCHRM5
SCHEMBL416156 0.79 MMP14 (0.36) MAOAMAOBSLC6A4ALDH1A1BACE1
SCHEMBL419374 0.78 ALDH1A1 (0.39) HCRTR2MEN1ALDH1A1KMT2ALMNA
SCHEMBL1742467 0.76 ALDH1A1 (0.38) MAOAMAOBSLC6A4ALDH1A1BACE1
SCHEMBL10195066 0.76 PNLIP (0.36) PNLIPCCR6MAOAMAOBCHRM5
SCHEMBL418343 0.71 FFAR1 (0.40) SLC6A4SLC6A3MEN1MAPTKMT2A
SCHEMBL869025 0.68 PGR (0.39) ARKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL406720 0.66 CTSD (0.40) SLC6A4ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL3036687 0.65 PGR (0.43) ARKDM4EALDH1A1MAPT

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 PNLIP 2677/4885HCRTR2 373/4885CCR6 3180/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PNLIP 3374/4885HCRTR2 105/4885CCR6 3816/4885

“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.