SCHEMBL6841189

SCHEMBL6841189

COC(=O)C(C(=O)OC)c1c(C)cc(Br)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
NOTUM Q6P988 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
MMP8 P22894 1/20 0.33
LMNA P02545 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
SCHEMBL8794058 0.84 TAS1R3 (0.39) MAPTPKMALDH1A1KMT2ATAS1R3
SCHEMBL26685363 0.83 ALDH1A1 (0.48) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL3163620 0.81 TAS1R3 (0.34) ALDH1A1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL6841192 0.80 XDH (0.39) KDM4EALDH1A1KMT2AMEN1TAS1R3
SCHEMBL6834732 0.78 HTT (0.42) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6838447 0.78 ALDH1A1 (0.36) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL1537457 0.77 XDH (0.41) KDM4EALDH1A1KMT2AMEN1TAS1R3
SCHEMBL27550566 0.76 KMT2A (0.44) ALDH1A1KMT2AMEN1TSHRNPC1
SCHEMBL15757000 0.76 TAS1R3 (0.36) MAPTKDM4EPKMALDH1A1TAS1R3
SCHEMBL2432041 0.75 SLC6A3 (0.37) KMT2AMEN1TSHRRECQLLMNA

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-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 US disclosed
EP-3046907-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES Syngenta Limited (GB) 2016-07-27 EP disclosed
WO-2015040114-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-26 WO disclosed
US-6759548-B2 PESTICIDES AND HERBICIDES. PHENYL-SUBSTITUTED CYCLIC KETOENOLS, A PLURALITY OF PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2004-07-06 US disclosed
US-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation FISCHER REINER (DE) 2003-07-31 US disclosed
EP-0835243-B1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6469196-B2 PESTICIDES AND WEEDKILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols FISCHER REINER (DE) 2002-02-21 US disclosed
US-6251830-B1 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-5994274-A Dialkyl phenyl halide-substituted keto-enols for use as herbicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1999-11-30 US disclosed
EP-0835243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1998-04-15 EP disclosed
WO-1997002243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-23 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 (3 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-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation DDT, CYP8B1, CYP1A1 MAPT 4708/4885KDM4E 709/4885PKM 156/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 MAPT 4878/4885KDM4E 362/4885PKM 272/4885
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES CBR3, CBR1, CNPY2 MAPT 4825/4885KDM4E 8/4885PKM 321/4885

“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.