SCHEMBL6280474

SCHEMBL6280474

CCOC(=O)C(C)Oc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 9/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 1/20 0.38
NPBWR1 P48145 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH2 P05091 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL6282561 0.78 L3MBTL1 (0.47) ALDH1A1HPGDLMNAL3MBTL1KMT2A
SCHEMBL7835157 0.77 MAPT (0.41) ALDH1A1HPGDLMNAL3MBTL1MAPT
SCHEMBL655938 0.76 MAPT (0.58) ALDH1A1HPGDLMNAL3MBTL1KMT2A
SCHEMBL6281405 0.76 PPOX (0.41) ALDH1A1HPGDLMNAL3MBTL1KMT2A
SCHEMBL30283493 0.76 ALDH1A1 (0.61) ALDH1A1HPGDLMNAL3MBTL1KMT2A
SCHEMBL6279361 0.75 L3MBTL1 (0.56) ALDH1A1HPGDLMNAL3MBTL1KMT2A
SCHEMBL9464413 0.75 KMT2A (0.50) ALDH1A1LMNAKMT2AMAPTCRHBP
SCHEMBL9650828 0.74 MEN1 (0.38) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL18342757 0.74 LMNA (0.46) ALDH1A1HPGDLMNAL3MBTL1KMT2A
SCHEMBL9653775 0.73 ACHE (0.41) LMNAKMT2AMAPTNPC1SMN1; 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 35 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-20030187264-A1 Process for producing carbonyl hydrazones ISHIHARA SANGYO KAISHA, LTD. 2003-10-02 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
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
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 disclosed
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 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 (6 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 ALDH1A1 901/4885HPGD 2721/4885LMNA 560/4885
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, CBR1, DDT ALDH1A1 906/4885HPGD 2705/4885LMNA 535/4885
US-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones HPD, DDT, DPYD ALDH1A1 92/4885HPGD 377/4885LMNA 2467/4885
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them HDHD5, DDT, CBR3 ALDH1A1 236/4885HPGD 1405/4885LMNA 2709/4885
US-20030187264-A1 Process for producing carbonyl hydrazones CBR3, CBR1, RCOR3 ALDH1A1 1450/4885HPGD 2734/4885LMNA 2878/4885
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them CBR3, HDHD5, DDT ALDH1A1 943/4885HPGD 3003/4885LMNA 798/4885

“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.