SCHEMBL5604030

SCHEMBL5604030

O=C(O)c1ccc(Br)c(OCC(F)(F)F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 6/20 0.36
TAS2R14 Q9NYV8 3/20 0.36
HSD17B10 Q99714 4/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
PAX8 Q06710 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL20108094 0.84 L3MBTL1 (0.41) L3MBTL1KDM4EALDH1A1TAS2R14HSD17B10
SCHEMBL6907082 0.81 TSHR (0.41) L3MBTL1KDM4EALDH1A1HSD17B10NPSR1
SCHEMBL7559576 0.79 SMN1; SMN2 (0.40) L3MBTL1KDM4EALDH1A1TAS2R14HSD17B10
SCHEMBL7550971 0.79 HSD17B10 (0.51) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL7554664 0.77 SCN9A (0.35) L3MBTL1KDM4EALDH1A1TAS2R14MEN1
SCHEMBL3257433 0.76 KDM4E (0.49) KDM4EALDH1A1HSD17B10MAPTHTT
SCHEMBL20107976 0.75 KDM4E (0.38) L3MBTL1KDM4EALDH1A1NPSR1MEN1
SCHEMBL5604817 0.75 MAPT (0.32) KDM4ENPSR1MEN1LMNAMAPT
SCHEMBL7555575 0.75 LMNA (0.32) L3MBTL1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL7555053 0.75 HTT (0.35) L3MBTL1KDM4EALDH1A1TAS2R14HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379497-B1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2007-01-17 EP disclosed
US-6768025-B2 FOR CONTROLLING BROADLEAF AND GRASS WEEDS IN CROPS AVENTIS CROPSCIENCE GMBH (DE) 2004-07-27 US disclosed
EP-1379497-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2004-01-14 EP disclosed
US-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2003-03-27 US disclosed
WO-2002081434-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2002-10-17 WO disclosed
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 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 (1 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-20030060651-A1 Benzoylcyclohexanedione derivatives and their use as herbicides DDT, CBR3, CBR1 L3MBTL1 871/4885KDM4E 2815/4885ALDH1A1 28/4885

“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.