SCHEMBL4459107

SCHEMBL4459107

CCc1cc(C)cc(CC)c1C1C(=O)N2CCCCN2C1=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
Pinoxaden Dione SCHEMBL64757 0.86 TSHR (0.39) HPGDKMT2AKDM4EALDH1A1HTT
SCHEMBL14335449 0.83
Cga-271312 SCHEMBL6801995 0.81 HRH3 (0.37) HPGDHRH3KMT2AALDH1A1HTT
SCHEMBL12774640 0.77
SCHEMBL14336060 0.77
SCHEMBL16592331 0.76 SLC6A2 (0.30)
SCHEMBL16592341 0.75 SLC6A2 (0.30)
SCHEMBL16592325 0.73 CNR1 (0.30)
SCHEMBL1038175 0.73 ALDH1A1 (0.31) HPGDALDH1A1HTT
SCHEMBL2685999 0.71 LMNA (0.33) KMT2AKDM4ENPSR1SMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605111-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2009-10-20 US disclosed
US-7605111-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2009-10-20 US disclosed
US-7605111-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2009-10-20 US disclosed
US-7459414-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-12-02 US disclosed
US-7459414-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-12-02 US disclosed
US-7459414-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-12-02 US disclosed
US-20050187110-A1 mixtures with plant safening agents used for selectively controlling weeds and grasses in crops of useful plants MAETZKE THOMAS (CH) 2005-08-25 US disclosed
US-20050164883-A1 agronomically tolerable salts, isomers and enantiomers of those compounds, are suitable for use as herbicides MAETZKE THOMAS (CH) 2005-07-28 US disclosed
US-6894005-B1 Heterocyclic compound containing phenyl groups; postemergence herbicides SYNGENTA CROP PROTECTION, INC. (US) 2005-05-17 US disclosed
EP-1210333-B1 p-Tolyl-heterocycles as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2004-11-17 EP disclosed
EP-1210333-A2 NOVEL HERBICIDES Syngenta Participations AG (CH) 2002-06-05 EP disclosed
WO-2001017972-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 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-20050164883-A1 agronomically tolerable salts, isomers and enantiomers of those compounds, are suitable for use as herbicides DDT, SULT2A1, GSTA1 HPGD 1564/4885HRH3 2391/4885KMT2A 650/4885
US-20050187110-A1 mixtures with plant safening agents used for selectively controlling weeds and grasses in crops of useful plants PIN1, GMDS, DDT HPGD 2473/4885HRH3 2916/4885KMT2A 1469/4885

“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.