SCHEMBL15427993

SCHEMBL15427993

CC1(C)OC(C)(C)c2cc(Br)c(N)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 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
SCHEMBL15428014 0.84 AHR (0.35)
SCHEMBL15427711 0.84 PTK2 (0.44) THRBMEN1ALDH1A1KMT2ATP53
SCHEMBL15428038 0.79 MEN1 (0.31) POLBL3MBTL1THRBMEN1APAF1
SCHEMBL15427872 0.76 POLB (0.34) POLBL3MBTL1THRBMEN1APAF1
SCHEMBL7843935 0.76 BCHE (0.37)
SCHEMBL31675854 0.74 RXRA (0.42) POLBL3MBTL1THRBMEN1APAF1
SCHEMBL15415473 0.74 POLB (0.33) POLBL3MBTL1THRBMEN1APAF1
SCHEMBL9054373 0.74 RXRA (0.42) POLBL3MBTL1THRBMEN1APAF1
SCHEMBL15427860 0.72 MEN1 (0.32) POLBL3MBTL1THRBMEN1APAF1
SCHEMBL23187863 0.71 RXRA (0.38) L3MBTL1ALDH1A1

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
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 POLB 1266/4885L3MBTL1 3160/4885THRB 4789/4885

“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.