SCHEMBL1759923

SCHEMBL1759923

CCOP(=O)(Cc1cccc(I)c1)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
HDAC1 Q13547 2/20 0.42
CCNT1 O60563 5/20 0.42
CDK9 P50750 5/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
NPY5R Q15761 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 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
SCHEMBL3390402 0.88 CCNT1 (0.46) HDAC1CCNT1CDK9NPY5RTSHR
SCHEMBL5301923 0.83 POLB (0.45) HDAC1CCNT1CDK9NPY5RTSHR
SCHEMBL1831290 0.81 IDO1 (0.44) IDO1HDAC1CCNT1CDK9MAPT
SCHEMBL29427115 0.81 IDO1 (0.44) IDO1HDAC1CCNT1CDK9MAPT
SCHEMBL1305912 0.80 CYP3A4 (0.43) IDO1HDAC1CCNT1CDK9MAPT
SCHEMBL9502876 0.80 CCNT1 (0.42) HDAC1CCNT1CDK9NPY5RTSHR
SCHEMBL1307260 0.80 IDO1 (0.43) IDO1HDAC1CCNT1CDK9CYP1A2
SCHEMBL478915 0.80 CCNT1 (0.56) HDAC1CCNT1CDK9NPY5R
SCHEMBL29426944 0.80 IDO1 (0.43) IDO1HDAC1CCNT1CDK9CYP1A2
SCHEMBL29938481 0.80 IDO1 (0.43) IDO1HDAC1CCNT1CDK9NPY5R

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8974920-B2 Application of triphenylene derivatives in organic electroluminescent devices NATIONAL TSING HUA UNIVERSITY (TW) 2015-03-10 US disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20130001521-A1 APPLICATION OF TRIPHENYLENE DERIVATIVES IN ORGANIC ELECTROLUMINESCENT DEVICES NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-03 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US 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-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-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-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 (6 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 IDO1 3544/4885HDAC1 4353/4885CCNT1 4327/4885
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP IDO1 4010/4885HDAC1 911/4885CCNT1 3731/4885
US-20080108840-A1 Stilbene Derivatives And Their Use For Binding And Imaging Amyloid Plaques APP, APBA1, PSEN1 IDO1 3544/4885HDAC1 4353/4885CCNT1 4327/4885
US-20130001521-A1 APPLICATION OF TRIPHENYLENE DERIVATIVES IN ORGANIC ELECTROLUMINESCENT DEVICES OPRD1, AOC3, OCIAD1 IDO1 294/4885HDAC1 3992/4885CCNT1 59/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R IDO1 405/4885HDAC1 941/4885CCNT1 1464/4885
US-20030149250-A1 Stilbene derivatives and their use for binding and imaging amyloid plaques APP, APBA1, PSEN1 IDO1 3544/4885HDAC1 4353/4885CCNT1 4327/4885

“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.