SCHEMBL414079

SCHEMBL414079

CCc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
DNMT3B Q9UBC3 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
PDE7A Q13946 1/20 0.32
GLA P06280 2/20 0.31
HTT P42858 2/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1743116 0.92 MEN1 (0.35) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL416156 0.82 MMP14 (0.36) ALDH1A1LMNA
SCHEMBL10195020 0.78 LMNA (0.33) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL413847 0.78 HSPB1 (0.45) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL1742467 0.73 ALDH1A1 (0.38) ALDH1A1LMNAGAA
SCHEMBL9192519 0.72 MAPK1 (0.62) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL406720 0.72 CTSD (0.40) KMT2AALDH1A1MAPTTDP1GAA
SCHEMBL10195635 0.71 DNMT3B (0.33) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL3034996 0.69 PGR (0.40) ALDH1A1MAPT
SCHEMBL10195488 0.68 MAPT (0.41) MEN1KMT2ATSHRMAPK1ALDH1A1

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 MEN1 4216/4885KMT2A 839/4885TSHR 1474/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MEN1 4280/4885KMT2A 674/4885TSHR 1306/4885

“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.