SCHEMBL678703

SCHEMBL678703

COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC(C)C)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALPL P05186 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKCI P41743 1/20 0.31
PRKCZ Q05513 1/20 0.31
NQO2 P16083 1/20 0.31
PTGES O14684 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL678814 0.90 MEP1B (0.32) MEP1BSCN10AALDH1A1ALOX5APFEN1
SCHEMBL115368 0.89 KDM4E (0.40) MEP1BSCN10AALDH1A1HSD17B10ALPL
SCHEMBL29423657 0.89 KDM4E (0.40) MEP1BSCN10AALDH1A1HSD17B10ALPL
SCHEMBL24066901 0.89 MEP1B (0.34) MEP1BSCN10AALDH1A1ALOX5APFEN1
SCHEMBL29442558 0.89 KDM4E (0.40) MEP1BSCN10AALDH1A1HSD17B10ALPL
SCHEMBL11940244 0.88 ALOX5AP (0.35) SCN10AALDH1A1ALOX5APFEN1HSD17B10
SCHEMBL115379 0.85 ALDH1A1 (0.40) MEP1BALDH1A1ALOX5APFEN1HSD17B10
SCHEMBL14999573 0.85 MEP1B (0.35) MEP1BSCN10AALDH1A1ALOX5APFEN1
SCHEMBL29405327 0.85 ALDH1A1 (0.40) MEP1BALDH1A1ALOX5APFEN1HSD17B10
SCHEMBL29349463 0.85 ALDH1A1 (0.40) MEP1BALDH1A1ALOX5APFEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US claimed
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 US claimed
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US claimed
US-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 US disclosed
US-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS BAYER CROPSCIENCE AG (DE) 2011-11-24 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-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL CROPS CYP8B1, HDHD5, HAGH MEP1B 2022/4885SCN10A 1320/4885ALDH1A1 517/4885
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops CRY1, CYP8B1, CNPY2 MEP1B 1903/4885SCN10A 1313/4885ALDH1A1 538/4885
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops CYP8B1, HDHD5, NCEH1 MEP1B 1827/4885SCN10A 1284/4885ALDH1A1 648/4885
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS CYP8B1, DDT, HDHD5 MEP1B 2191/4885SCN10A 1225/4885ALDH1A1 450/4885
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS CTH, GGH, CBR3 MEP1B 2603/4885SCN10A 2194/4885ALDH1A1 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.