SCHEMBL587574

SCHEMBL587574

CCOC(=O)c1ccc(Br)c(OCCBr)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HSD17B10 Q99714 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL9304224 0.88 MAPT (0.51) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL8526820 0.87 KMT2A (0.44) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL18468249 0.82 MEN1 (0.52) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL18468247 0.78 TSHR (0.55) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL17559391 0.78 KMT2A (0.44) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL587810 0.77 MEN1 (0.37) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL588675 0.77 MAPK1 (0.42) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL6160953 0.77 TSHR (0.53) KMT2AMEN1MAPTNPSR1TSHR
SCHEMBL587118 0.76 CYP4F2 (0.51) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL8491964 0.76 KMT2A (0.44) KMT2AMEN1MAPTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081925-B1 Benzoylpyrazoles, their use as herbicides, and intermediates BAYER CROPSCIENCE AG (DE) 2012-02-15 EP disclosed
US-8084398-B2 Benzoylpyrazoles and herbicide BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
EP-2081925-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES Bayer CropScience AG (DE) 2009-07-29 EP disclosed
WO-2008043456-A1 BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2008-04-17 WO 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-20100094023-A1 BENZOYLPYRAZOLES AND HERBICIDE ATL3, AHR, HACL2 KMT2A 896/4885MEN1 4437/4885MAPT 3867/4885

“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.