SCHEMBL6281405

SCHEMBL6281405

CCOC(=O)C(C)Oc1cc([N+](=O)[O-])[c]cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.41
ALDH1A1 P00352 7/20 0.37
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NR5A1 Q13285 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
NPBWR1 P48145 1/20 0.34

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
SCHEMBL6645990 0.78 MAPT (0.37) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL11009313 0.78 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL6280474 0.76 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL6592765 0.72 PPOX (0.48) PPOXALDH1A1MAPTNPSR1LMNA
SCHEMBL3613183 0.71 PPOX (0.49) PPOXALDH1A1MAPTNPSR1LMNA
SCHEMBL11340856 0.71 SMN1; SMN2 (0.51) PPOXALDH1A1MAPTLMNAHPGD
SCHEMBL2059349 0.69 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL7386900 0.69 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL4824448 0.69 L3MBTL1 (0.62) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL18342846 0.68 L3MBTL1 (0.41) PPOXALDH1A1MAPTNPSR1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-12-30 US claimed
EP-1432692-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-30 EP claimed
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP claimed
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-10-16 US claimed
US-6617282-B2 Useful as herbicides, defoliants and desiccants. ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-09 US claimed
US-6613718-B2 2,3-Dihydro-2-thioxo-pyrimidinone derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-02 US claimed
US-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-07-10 US claimed
US-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones ISHIHARA SANGYO KAISHA, LTD. 2003-05-22 US claimed
WO-2003029225-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-10 WO claimed
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them PULMAN DAVID A (US) 2002-10-31 US claimed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US claimed
EP-0973395-A4 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2001-10-04 EP claimed
EP-0973395-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-01-26 EP claimed
WO-1998041093-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1998-09-24 WO claimed
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US disclosed
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-12-30 US disclosed
EP-1432692-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-30 EP disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US 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 (5 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-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT PPOX 745/4885ALDH1A1 901/4885MAPT 4604/4885
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT PPOX 731/4885ALDH1A1 906/4885MAPT 4604/4885
US-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones HPD, DDT, DPYD PPOX 295/4885ALDH1A1 92/4885MAPT 2876/4885
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them HDHD5, DDT, CBR3 PPOX 1376/4885ALDH1A1 236/4885MAPT 4591/4885
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, HDHD5, DDT PPOX 1090/4885ALDH1A1 943/4885MAPT 4506/4885

“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.