SCHEMBL2945511

SCHEMBL2945511

Oc1ccc(C=Cc2cccc(I)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 1.00
TTR P02766 2/20 0.56
PTGS1 P23219 2/20 0.55
ACE P12821 1/20 0.55
LCK P06239 3/20 0.53
NQO2 P16083 2/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52

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
SCHEMBL2945509 1.00 APP (1.00) APPTTRPTGS1ACELCK
SCHEMBL698666 0.85 APP (0.74) APPLCKMAOBCYP19A1MAOA
SCHEMBL698667 0.85 APP (0.74) APPLCKMAOBCYP19A1MAOA
SCHEMBL1931278 0.85 APP (0.73) APPTTRPTGS1LCKNQO2
SCHEMBL698579 0.85 APP (0.72) APPPTGS1LCKMAPTMAOB
SCHEMBL698580 0.85 APP (0.72) APPPTGS1LCKMAPTMAOB
SCHEMBL699967 0.83 APP (0.70) APPKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL699966 0.83 APP (0.70) APPKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL29446277 0.83 APP (0.70) APPKDM4EMEN1ALDH1A1CYP1A2
(E)-3,4'-Stilbendiol SCHEMBL4167479 0.81 LCK (0.72) APPTTRPTGS1LCKNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432453-B1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES UNIV PENNSYLVANIA (US) 2013-08-14 EP disclosed
US-7759502-B2 Useful for inhibiting the aggregation of amyloid protein to form amyloid deposit THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-20 US disclosed
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2008-05-08 US disclosed
US-7297820-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-11-20 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-7250525-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-07-31 US disclosed
EP-1432453-A4 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES UNIV PENNSYLVANIA (US) 2007-01-24 EP disclosed
US-20060002853-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-01-05 US disclosed
EP-1432453-A1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of The University of Pennsylvania (US) 2004-06-30 EP disclosed
US-20030149250-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-08-07 US disclosed
WO-2003018070-A1 STILBENE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-03-06 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 (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-20060002853-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885TTR 10/4885PTGS1 3373/4885
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP APP 1/4885TTR 21/4885PTGS1 1973/4885
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques APP, APBA1, PSEN1 APP 1/4885TTR 10/4885PTGS1 3373/4885
US-20030149250-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 APP 1/4885TTR 10/4885PTGS1 3373/4885

“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.