SCHEMBL16582736

SCHEMBL16582736

CC1(C)CC(C)(C)c2c1c1ccccc1c1ncccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PARP1 P09874 3/20 0.38
HTT P42858 3/20 0.36
HSP90AB1 P08238 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
MPI P34949 1/20 0.36

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
SCHEMBL5470672 0.76 HSP90AA1 (0.59) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL16582720 0.74 KDM4E (0.43) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL16582584 0.74 CCR1 (0.37) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL30733943 0.73 HSP90AA1 (0.56) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL17523388 0.73 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL422507 0.73 HSP90AA1 (0.56) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL15374722 0.73 HSP90AA1 (0.56) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL5473648 0.73 HSP90AA1 (0.62) HSP90AA1L3MBTL1NPC1MEN1KMT2A
SCHEMBL19859927 0.71 CCR1 (0.38) HSP90AA1L3MBTL1NPC1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27667853 0.71 HSP90AA1 (0.54) HSP90AA1L3MBTL1NPC1MEN1KMT2A

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-3044284-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9831448-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160233443-A1 Metal Complexes MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
WO-2015036074-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-03-19 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-20160233443-A1 Metal Complexes AP1M1, SOD1, AP3M1 HSP90AA1 4306/4885L3MBTL1 2753/4885NPC1 3855/4885

“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.