SCHEMBL16454841

SCHEMBL16454841

CC(C)(Br)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.57
ESR2 Q92731 4/20 0.57
PTGS2 P35354 11/20 0.52
KIF11 P52732 3/20 0.47
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL16454838 0.85 F2 (0.55) ESR1ESR2PTGS2KIF11KDM4E
SCHEMBL17919578 0.84 ESR1 (0.49) ESR1ESR2PTGS2KIF11KDM4E
SCHEMBL2289172 0.83 KIF11 (0.61) ESR1ESR2PTGS2KIF11KDM4E
SCHEMBL22599752 0.80 KIF11 (0.56) ESR1ESR2PTGS2KIF11
SCHEMBL7076291 0.78 ESR1 (0.71) ESR1ESR2PTGS2KIF11MAPK14
SCHEMBL15563263 0.78 PTGS2 (0.72) ESR1ESR2PTGS2KDM4EMEN1
SCHEMBL4816763 0.78 PTGS2 (0.74) ESR1ESR2PTGS2KDM4EMEN1
SCHEMBL18552201 0.77 ESR1 (0.69) ESR1ESR2PTGS2MAPK14
SCHEMBL18552154 0.77 ESR1 (0.69) ESR1ESR2PTGS2MAPK14
SCHEMBL18610257 0.76 ESR1 (0.73) ESR1ESR2PTGS2MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030559-B1 URAZOLE COMPOUNDS UNIV GENT (BE) 2017-06-28 EP disclosed
US-9586935-B2 Urazole compounds UNIVERSITEIT GENT (BE) 2017-03-07 US disclosed
US-9586935-B2 Urazole compounds UNIVERSITEIT GENT (BE) 2017-03-07 US disclosed
US-20160200707-A1 URAZOLE COMPOUNDS UNIVERSITEIT GENT (BE) 2016-07-14 US disclosed
US-20160200707-A1 URAZOLE COMPOUNDS UNIVERSITEIT GENT (BE) 2016-07-14 US disclosed
WO-2015018928-A1 URAZOLE COMPOUNDS UNIVERSITEIT GENT (BE) 2015-02-12 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-20160200707-A1 URAZOLE COMPOUNDS UFL1, UFM1, SULT1E1 ESR1 791/4885ESR2 1322/4885PTGS2 4009/4885

“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.