SCHEMBL3028986

SCHEMBL3028986

COCC1=C(C(=O)OC)C(c2ccccc2Cl)C(C(=O)OC)=C(COC)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.63
TBXA2R P21731 3/20 0.63
ADRA1A P35348 3/20 0.63
SLC6A3 Q01959 3/20 0.63
DRD1 P21728 3/20 0.63
OPRM1 P35372 3/20 0.63
KCNH2 Q12809 3/20 0.63
ADORA3 P0DMS8 3/20 0.63
SCN5A Q14524 3/20 0.63
CACNA1C Q13936 3/20 0.63
HTR1A P08908 2/20 0.63
ADRA2A P08913 2/20 0.63
CHRM1 P11229 2/20 0.63
SLC6A2 P23975 2/20 0.63
DRD3 P35462 2/20 0.63
ABCB1 P08183 2/20 0.63
ADRB3 P13945 2/20 0.63
OPRK1 P41145 2/20 0.63
KCNK2 O95069 2/20 0.63
HTR2C P28335 2/20 0.63

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
SCHEMBL3034389 0.88 TBXA2R (0.50) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL6297478 0.85 ABCB11 (0.52) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL11736568 0.84 TBXA2R (0.64) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL8258913 0.84 HTR1A (0.58) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL29676073 0.83 KDM4E (0.68) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL3035724 0.83 KDM4E (0.68) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL5477290 0.82 ABCB11 (0.90) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL30958564 0.82 ABCB11 (0.90) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL10746465 0.82 ABCB11 (0.64) ABCB11TBXA2RADRA1ASLC6A3DRD1
SCHEMBL29676385 0.82 ABCB11 (0.64) ABCB11TBXA2RADRA1ASLC6A3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 ABCB11 2253/4885TBXA2R 1443/4885ADRA1A 1533/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCB11 1711/4885TBXA2R 1184/4885ADRA1A 1028/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCB11 1711/4885TBXA2R 1184/4885ADRA1A 1028/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCB11 1711/4885TBXA2R 1184/4885ADRA1A 1028/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCB11 1711/4885TBXA2R 1184/4885ADRA1A 1028/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ABCB11 1711/4885TBXA2R 1184/4885ADRA1A 1028/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ABCB11 1711/4885TBXA2R 1184/4885ADRA1A 1028/4885

“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.