SCHEMBL997958

SCHEMBL997958

CC1(C)CC(C)(C)C(=O)C(C(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
RXRA P19793 1/20 0.34
POLB P06746 2/20 0.33
PPARA Q07869 3/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9739114 0.90 HPD (0.38) HPDALDH1A1MEN1MAPK1KMT2A
SCHEMBL9738404 0.88 HPD (0.38) HPDALDH1A1MEN1MAPK1KMT2A
SCHEMBL9738609 0.87 HPD (0.36) HPDALDH1A1MEN1MAPK1KMT2A
SCHEMBL30177033 0.83 HPD (0.58) HPDMEN1KMT2A
SCHEMBL1860425 0.83 HPD (0.58) HPDMEN1KMT2A
SCHEMBL998546 0.80 HPD (0.39) HPDALDH1A1MEN1MAPK1KMT2A
SCHEMBL9740555 0.76 AKR1C3 (0.45) ALDH1A1MAPK1KDM4ERXRAPOLB
SCHEMBL9738636 0.75 FLT1 (0.39) ALDH1A1MEN1MAPK1KMT2AKDM4E
SCHEMBL909773 0.72 HPD (0.45) HPDALDH1A1MEN1MAPK1KMT2A
SCHEMBL9300076 0.72 HPD (0.45) HPDALDH1A1MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211578-A1 Method of controlling weeds SYNGENTA CROP PROTECTION, INC. 2006-09-21 US claimed
EP-1672982-A1 METHOD OF CONTROLLING WEEDS Syngenta Participations AG (CH) 2006-06-28 EP claimed
WO-2004112481-A1 METHOD OF CONTROLLING WEEDS SYNGENTA PARTICIPATIONS AG (CH) 2004-12-29 WO claimed
EP-0614606-B1 Herbicidal compositions BASF AG (DE) 2003-09-10 EP claimed
US-5545607-A SYNERGISTIC SANDOZ LTD. (CH) 1996-08-13 US claimed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US claimed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 EP claimed
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US claimed
EP-2272342-B1 Herbicidal compositions BASF SE (DE) 2012-06-27 EP disclosed
EP-2050338-B1 Herbicidal compositions BASF SE (DE) 2011-05-25 EP disclosed
EP-2272342-A2 Herbicidal compositions BASF SE (DE) 2011-01-12 EP disclosed
EP-2272341-A2 Herbizide Zusammensetzungen BASF SE (DE) 2011-01-12 EP disclosed
EP-1810570-B1 Herbicidal compositions BASF SE (DE) 2009-07-15 EP disclosed
EP-2050338-A1 Herbicidal compositions BASF SE (DE) 2009-04-22 EP disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 US disclosed
US-5665673-A SEMICARBAZONES BASF AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
US-5545607-A SYNERGISTIC SANDOZ LTD. (CH) 1996-08-13 US disclosed
US-5491124-A PLANT GROWTH REGULATOR; CO-APPLICATION OF CERTAIN CHLOROACETAMIDES SELECTED FROM ACETOCHLOR AND METAZACHLOR AND ATLEAST ONE TRIKETONE SELECTED FROM SULCOTRIONE AND OTHERS SANDOZ LTD. (CH) 1996-02-13 US disclosed
EP-0646315-A1 Novel compositions containing an auxin transport inhibitor and another herbicide SANDOZ LTD. (CH) 1995-04-05 EP disclosed
EP-0614606-A2 Herbicidal compositions SANDOZ LTD. (CH) 1994-09-14 EP 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-20060211578-A1 Method of controlling weeds CA3, HACL2, CA2 HPD 228/4885ALDH1A1 479/4885MEN1 4056/4885

“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.