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SCHEMBL909773

SCHEMBL909773

CC1(C)CCC(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.39
▸ ALDH3A1 P30838 3/20 0.38
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL9240067 0.84 HPD (0.46) HPDALDH1A1MEN1KMT2ANPC1
Mesotrione SCHEMBL4895947 0.83 HPD (0.62) HPDALDH1A1ALDH3A1LMNAMAPT
Mesotrione SCHEMBL29352201 0.83 HPD (0.62) HPDALDH1A1ALDH3A1LMNAMAPT
Mesotrione SCHEMBL22116 0.83 HPD (0.62) HPDALDH1A1ALDH3A1LMNAMAPT
SCHEMBL9134511 0.83 HPD (0.47) HPDALDH1A1ALDH3A1LMNAMAPT
SCHEMBL9134592 0.83 LMNA (0.41) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL10338036 0.83 HPD (0.41) HPDALDH1A1ALDH3A1LMNAMAPT
SCHEMBL10392939 0.83 HPD (0.39) HPDALDH1A1ALDH3A1LMNAMAPT
Mesotrione SCHEMBL2233142 0.82 HPD (0.61) HPDALDH1A1ALDH3A1LMNAMAPT
Mesotrione SCHEMBL20723476 0.82 HPD (0.61) HPDALDH1A1ALDH3A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121105-A1 AGROCHEMICAL FORMULATION SYNGENTA CROP PROTECTION, LLC (US) 2014-05-01 — — US claimed
CN-102159069-A Agrochemical formulation SYNGENTA PARTICIPATIONS AG 2011-08-17 — — CN claimed
US-20100105556-A1 SUSPOEMULSIONS COMPRISING AN HPPD-INHIBITING AND A CHLORACETAMIDE HERBICIDE SYNGENTA CROP PROTECTION, INC. (US) 2010-04-29 — — US claimed
JP-4444951-B2 — — 2010-03-31 — — JP claimed
EP-1672982-B1 METHOD OF CONTROLLING WEEDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-27 — — EP claimed
EP-1515609-B1 HERBICIDAL COMPOSITION SYNGENTA LTD (GB) 2008-04-23 — — EP claimed
US-20070293396-A1 Suspoemulsions Comprising an Hppd-Inhibiting and a Chloracetamide Herbicide SYNGENTA CROP PROTECTION, INC. (US) 2007-12-20 — — US claimed
EP-1603388-B1 HERBICIDAL SUSPOEMULSION SYNGENTA PARTICIPATIONS AG (CH) 2007-05-16 — — EP claimed
WO-2006105873-A2 WEED CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2006-10-12 — — WO claimed
US-20060211578-A1 Method of controlling weeds SYNGENTA CROP PROTECTION, INC. 2006-09-21 — — US claimed
EP-1603388-A1 HERBICIDAL SUSPOEMULSION Syngenta Participations AG (CH) 2005-12-14 — — EP claimed
US-20050202972-A1 Herbicidal composition SYNGENTA LIMITED (GB) 2005-09-15 — — US claimed
US-20050202975-A1 Compositions comprising a cyclohexanedione herbicide and an adjuvant SYNGENTA LIMITED (GB) 2005-09-15 — — US claimed
EP-1515609-A1 HERBICIDAL COMPOSITION Syngenta Limited (GB) 2005-03-23 — — EP claimed
EP-1515608-A1 COMPOSITIONS COMPRISING A CYCLOHEXANEDIONE HERBICIDE AND AN ADJUVANT Syngenta Limited (GB) 2005-03-23 — — EP claimed
WO-2004112481-A1 METHOD OF CONTROLLING WEEDS SYNGENTA PARTICIPATIONS AG (CH) 2004-12-29 — — WO claimed
WO-2004080178-A1 HERBICIDAL SUSPOEMULSION SYNGENTA PARTICIPATIONS AG (CH) 2004-09-23 — — WO claimed
WO-2003105588-A1 HERBICIDAL COMPOSITION SYNGENTA LIMITED (GB) 2003-12-24 — — WO claimed
WO-2003105589-A1 COMPOSITION COMPRISING A CYCLOHEXANEDIONE HERBICIDE AND AN ADJUVANT SYNGENTA LIMITED (GB) 2003-12-24 — — WO claimed
EP-0563817-A2 Salts of 2-benzoyl-cyclohexane diones, selective herbicidal agents, process for their preparation and their use for combatting weeds HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 — — EP claimed

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-20100105556-A1 SUSPOEMULSIONS COMPRISING AN HPPD-INHIBITING AND A CHLORACETAMIDE HERBICIDE HPD, DDT, MPST HPD 1/4885ALDH1A1 1458/4885ALDH3A1 878/4885
US-20050202972-A1 Herbicidal composition DDT, PHOSPHO1, PPA1 HPD 76/4885ALDH1A1 1417/4885ALDH3A1 618/4885
US-20140121105-A1 AGROCHEMICAL FORMULATION DDT, CIP2A, BOLA2; BOLA2B HPD 556/4885ALDH1A1 240/4885ALDH3A1 449/4885
US-20050202975-A1 Compositions comprising a cyclohexanedione herbicide and an adjuvant DDT, PIK3CA, PLCG2 HPD 59/4885ALDH1A1 2712/4885ALDH3A1 1161/4885
US-20060211578-A1 Method of controlling weeds CA3, HACL2, CA2 HPD 228/4885ALDH1A1 479/4885ALDH3A1 190/4885
US-20070293396-A1 Suspoemulsions Comprising an Hppd-Inhibiting and a Chloracetamide Herbicide HPD, DDT, MPST HPD 1/4885ALDH1A1 1458/4885ALDH3A1 878/4885

“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.