SCHEMBL2114306

SCHEMBL2114306

COc1cc(OC)nc(Sc2cccc3c2C(=O)O[C@H]3C)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 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
SCHEMBL30583824 1.00 ALOX5 (0.33) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL119075 1.00 ALOX5 (0.33) ALOX5KDM4EALDH1A1MAPTPKM
SCHEMBL16716823 0.94 ALOX5 (0.32) ALOX5
SCHEMBL9138545 0.93 ALDH1A1 (0.41) KDM4EALDH1A1MAPTPKM
Pyrithiobac SCHEMBL23421324 0.88
SCHEMBL9139222 0.87 KDM4E (0.32) KDM4EALDH1A1MAPTPKM
SCHEMBL9146290 0.86
SCHEMBL9141615 0.83 ALDH1A1 (0.39) KDM4EALDH1A1MAPTPKM
SCHEMBL9142548 0.83
SCHEMBL9140143 0.79 ALOX5 (0.32) ALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050170964-A1 Herbicidal composition and method of weeding with the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-08-04 US claimed
US-8158559-B2 Herbicidal combination comprising dimethoxytriazinyl-substituted difluoromethanesulfonylanilides BAYER CROPSCIENCE AG (DE) 2012-04-17 US disclosed
US-20110177946-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-07-21 US disclosed
US-20110172100-A1 HERBICIDAL COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-07-14 US disclosed
US-7741246-B2 Herbicide composition and weed-controlling method using the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-06-22 US disclosed
US-20100062941-A1 Herbicide Combination Comprising Dimethoxytriazinyl-Substituted Difluoromethanesulfonylanilides BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-7595171-B2 Ketocarotenoids from Adonis palaestina SINOTRADE TECHNOLOGY LIMITED (CN) 2009-09-29 US disclosed
US-20060260010-A1 KETOCAROTENOIDS FROM ADONIS PALAESTINA WINETWORKS INC. (IL) 2006-11-16 US disclosed
US-20050170964-A1 Herbicidal composition and method of weeding with the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-08-04 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 (4 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-20110172100-A1 HERBICIDAL COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DPYD, ATL3, DDT ALOX5 3100/4885KDM4E 4693/4885ALDH1A1 380/4885
US-20100062941-A1 Herbicide Combination Comprising Dimethoxytriazinyl-Substituted Difluoromethanesulfonylanilides DPYD, ATL3, IDH1 ALOX5 3459/4885KDM4E 4687/4885ALDH1A1 396/4885
US-20060260010-A1 KETOCAROTENOIDS FROM ADONIS PALAESTINA FADS2, HSD17B7, FADS1 ALOX5 150/4885KDM4E 1423/4885ALDH1A1 3210/4885
US-20110177946-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DPYD, ATL3, IDH1 ALOX5 3459/4885KDM4E 4687/4885ALDH1A1 396/4885

“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.