SCHEMBL3684471

SCHEMBL3684471

C=Cc1ccc2oc(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
STAT1 P42224 1/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CEPT1 Q9Y6K0 1/20 0.40
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2818516 0.82 GAA (0.51) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL5543053 0.76 GAA (0.56) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL13528421 0.75 L3MBTL1 (0.82) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL903255 0.75 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL9105844 0.75 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL29442076 0.75 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL2606201 0.74 GAA (0.44) GAAL3MBTL1RAB9ANPC1KDM4E
Iodide SCHEMBL8417295 0.73 NPC1 (0.59) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL1133163 0.72 L3MBTL1 (0.56) GAAL3MBTL1RAB9ANPC1KDM4E
SCHEMBL1192488 0.72 ESR1 (0.58) GAAL3MBTL1RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951053-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2018-04-24 US disclosed
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-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-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2017-09-14 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-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-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-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-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
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
WO-2010036921-A2 SLOW RELEASE OF ORGANOBORONIC ACIDS IN CROSS-COUPLING REACTIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-04-01 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 (5 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 GAA 2438/4885L3MBTL1 740/4885RAB9A 852/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 GAA 2438/4885L3MBTL1 740/4885RAB9A 852/4885
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 GAA 2438/4885L3MBTL1 740/4885RAB9A 852/4885
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 GAA 646/4885L3MBTL1 3060/4885RAB9A 825/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 GAA 2438/4885L3MBTL1 740/4885RAB9A 852/4885

“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.