SCHEMBL417562

SCHEMBL417562

CCc1ccc(Br)cc1C1C(=O)CC2(CCOCC2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.33
APP P05067 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP2 O95551 2/20 0.32
CFTR P13569 1/20 0.32
CASP6 P55212 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
GOPC Q9HD26 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LRRK2 Q5S007 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL414346 0.84 HTR2A (0.31) TP53
SCHEMBL419382 0.81 ALDH1A1 (0.40) LMNASMN1; SMN2HPGDTSHRL3MBTL1
SCHEMBL2994640 0.81 CYP11B2 (0.35) BACE1APPTDP2ALDH1A1HSD17B10
SCHEMBL404243 0.77 TSHR (0.40) LMNASMN1; SMN2HPGDTSHRL3MBTL1
SCHEMBL418249 0.75 LMNA (0.38) LMNASMN1; SMN2HPGDTSHRL3MBTL1
SCHEMBL2991364 0.73 MEN1 (0.32) MEN1KMT2ANPSR1HSD17B10
SCHEMBL993617 0.71 LMNA (0.34) LMNASMN1; SMN2HPGDTSHRL3MBTL1
SCHEMBL10195052 0.71 ESR1 (0.32) LRRK2ALDH1A1
SCHEMBL2120025 0.70 TSHR (0.33) LMNASMN1; SMN2HPGDTSHRL3MBTL1
SCHEMBL3036820 0.70 TSHR (0.37) LMNASMN1; SMN2HPGDTSHRL3MBTL1

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 BACE1 1253/4885APP 2925/4885LMNA 4151/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885APP 3680/4885LMNA 4657/4885

“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.