SCHEMBL3685899

SCHEMBL3685899

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
TNK2 Q07912 1/20 0.47
NR1H2 P55055 11/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
BUB1 O43683 1/20 0.39
BCHE P06276 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
NR1H3 Q13133 3/20 0.36
ELANE P08246 1/20 0.36
ATR Q13535 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL26819803 0.89 HSP90AA1 (0.48) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL26819807 0.85 HSP90AA1 (0.50) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL12450000 0.85 HSP90AA1 (0.52) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL13624112 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL26819793 0.84 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL17673749 0.84 HSP90AA1 (0.55) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL19318761 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL26819797 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
Water SCHEMBL27701299 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1
SCHEMBL16881172 0.82 HSP90AA1 (0.47) HSP90AA1HSP90AB1TNK2NR1H2PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845317-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-12-19 US disclosed
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-12-29 US disclosed
US-9328102-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 US disclosed
US-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions NATIONAL SCIENCE FOUNDATION 2015-09-03 US disclosed
US-9006463-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-14 US disclosed
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-28 US disclosed
US-8338601-B2 Slow release of organoboronic acids in cross-coupling reactions BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-25 US disclosed
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-13 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 (4 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-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 HSP90AA1 4149/4885HSP90AB1 3408/4885TNK2 1943/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 HSP90AA1 4149/4885HSP90AB1 3408/4885TNK2 1943/4885
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 HSP90AA1 4149/4885HSP90AB1 3408/4885TNK2 1943/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 HSP90AA1 4149/4885HSP90AB1 3408/4885TNK2 1943/4885

“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.