SCHEMBL678977

SCHEMBL678977

C=CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.35
MEP1B Q16820 1/20 0.34
AGPAT2 O15120 1/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FGFR1 P11362 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL29850693 0.88 PRKCZ (0.36) ALDH1A1HSD17B10TSHRMEP1BKDM4E
SCHEMBL679113 0.88 PRKCZ (0.36) ALDH1A1HSD17B10TSHRMEP1BKDM4E
SCHEMBL678919 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRMEP1BCYP3A4
SCHEMBL694400 0.87 MEP1B (0.35) ALDH1A1MEP1BAGPAT2CYP3A4KDM4E
SCHEMBL13822293 0.85 MEP1B (0.34) ALDH1A1HSD17B10TSHRPKMMEP1B
SCHEMBL24066901 0.85 MEP1B (0.34) ALDH1A1HSD17B10TSHRPKMMEP1B
SCHEMBL29442558 0.85 KDM4E (0.40) ALDH1A1HSD17B10PKMMEP1BKDM4E
SCHEMBL115368 0.85 KDM4E (0.40) ALDH1A1HSD17B10PKMMEP1BKDM4E
SCHEMBL29423657 0.85 KDM4E (0.40) ALDH1A1HSD17B10PKMMEP1BKDM4E
SCHEMBL678813 0.85 L3MBTL1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514314-B1 Synergistic herbicidal composition containing certain pyridine carboxylic acids and certain cereal and rice herbicides DOW AGROSCIENCES LLC (US) 2016-06-15 EP claimed
US-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US claimed
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 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-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL 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-9253985-B2 Herbicidal composition for tolerant or resistant cereal crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-8785350-B2 Herbicidal compositions for tolerant or resistant soybean crops BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US disclosed
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 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-20110287932-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT CEREAL 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

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 ALDH1A1 517/4885HSD17B10 58/4885TSHR 1311/4885
US-20110294663-A1 Herbicidal composition for tolerant or resistant corn crops CRY1, CYP8B1, CNPY2 ALDH1A1 538/4885HSD17B10 107/4885TSHR 1689/4885
US-20110287933-A1 Herbicidal composition for tolerant or resistant oilseed rape crops CYP8B1, HDHD5, NCEH1 ALDH1A1 648/4885HSD17B10 26/4885TSHR 2017/4885
US-20110287934-A1 HERBICIDAL COMPOSITION FOR TOLERANT OR RESISTANT RICE CROPS CYP8B1, DDT, HDHD5 ALDH1A1 450/4885HSD17B10 114/4885TSHR 1183/4885
US-20130023413-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT SOYBEAN CROPS CTH, GGH, CBR3 ALDH1A1 798/4885HSD17B10 213/4885TSHR 1169/4885

“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.