SCHEMBL13624112

SCHEMBL13624112

CC(C)(C)OC(=O)n1cccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
TNK2 Q07912 1/20 0.43
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
BUB1 O43683 1/20 0.39
BCHE P06276 1/20 0.39
HSD11B1 P28845 2/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H2 P55055 8/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H3 Q13133 2/20 0.36
NR1H4 Q96RI1 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
SCHEMBL23303573 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL26819807 0.87 HSP90AA1 (0.50) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL12450000 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL26819793 0.85 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL19318761 0.85 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL26819797 0.85 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL17673749 0.85 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
Water SCHEMBL27701299 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL3685899 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA
SCHEMBL26819803 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1TNK2PIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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 (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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF HSP90AA1 576/4885HSP90AB1 535/4885TNK2 2578/4885

“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.