SCHEMBL4983541

SCHEMBL4983541

CC(C)(Sc1cc(C(C)(C)C)[c]c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.78
HPN P05981 1/20 0.78
MAPT P10636 1/20 0.78
SIRT5 Q9NXA8 1/20 0.78
VCAM1 P19320 13/20 0.52
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Probucol SCHEMBL5143451 0.88 HPN (1.00) ALOX15HPNMAPTSIRT5VCAM1
Probucol SCHEMBL4150 0.88 HPN (1.00) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL6439618 0.86 HPN (0.62) ALOX15HPNMAPTSIRT5VCAM1
Probucol SCHEMBL4620631 0.86 ALOX15 (0.95) ALOX15HPNMAPTSIRT5VCAM1
Probucol SCHEMBL8344652 0.86 ALOX15 (0.95) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL9240897 0.86 HPN (0.52) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL4985953 0.85 HPN (0.84) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL6361160 0.82 ALOX15 (0.62) ALOX15HPNMAPTSIRT5VCAM1
SCHEMBL12791592 0.81 ALOX15 (0.84) ALOX15HPNMAPTSIRT5VCAM1
Probucol SCHEMBL8344272 0.79 HPN (0.81) ALOX15HPNMAPTSIRT5VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102613-A1 BILE ACID CONJUGATE CURTIN UNIVERSITY (AU) 2023-06-15 WO claimed
WO-2023102613-A1 BILE ACID CONJUGATE CURTIN UNIVERSITY (AU) 2023-06-15 WO disclosed
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2008-09-04 US disclosed
US-7375252-B2 Compounds and method for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. (US) 2008-05-20 US disclosed
US-7189870-B2 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENIC, INC. (US) 2007-03-13 US disclosed
EP-1726582-A2 Compounds and methods for the inhibition of the expression of vcam-1 Atherogenics, Inc. (US) 2006-11-29 EP disclosed
EP-1695959-A1 Compouds and methods for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2006-08-30 EP disclosed
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. 2005-04-28 US disclosed
US-20050065121-A1 Methods to increase plasma HDL cholesterol levels and improve HDL functionality with probucol monoesters SIKORSKI JAMES A (US) 2005-03-24 US disclosed
US-6828447-B2 Therapeutic agent for use in the treatment of cardiovascular and inflammatory disorders ATHEROGENICS, INC. 2004-12-07 US disclosed
US-6617352-B2 Cardiovascular disorders; antiinflammatory agents ATHEROGENICS, INC. 2003-09-09 US disclosed
US-6602914-B2 Treatment of a disease that is mediated by the expression or suppression of a redox sensitive gene, for example MCP-1, IL-6 and thrombin receptor; antiinflammatory agents; cardio-vascular disorders; atherosclerosis; immunology ATHEROGENICS, INC. 2003-08-05 US disclosed
US-6548699-B1 4,4*-(Isopropylidenedithio)-(2*,6*-di-tert-butylphenol)-(2,6-d i-tert-butylphenol-O*-acetic acid); antiarthritic, antiinflammatory agents; rheumatic and cardiovascular disorders ATHEROGENICS, INC. 2003-04-15 US disclosed
US-20030064967-A1 Methods to increase plasma HDL cholesterol levels and improve HDL functionality with probucol monoesters ATHEROGENICS, INC. 2003-04-03 US disclosed
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-12 US disclosed
US-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-14 US disclosed
WO-2002087556-A2 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS, INC. (US) 2002-11-07 WO disclosed
US-6147250-A TREATING DISEASES MEDIATED BY VASCULAR CELL ADHESION MOLECULE-1, INCLUDING CARDIOVASCULAR AND INFLAMMATORY DISEASES; SUCCINOBUCOL ATHEROGENICS, INC. (US) 2000-11-14 US disclosed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP disclosed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 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-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL ALOX15 237/4885HPN 900/4885MAPT 3002/4885
US-20050065121-A1 Methods to increase plasma HDL cholesterol levels and improve HDL functionality with probucol monoesters HDLBP, CETP, APOB ALOX15 2135/4885HPN 167/4885MAPT 3773/4885
US-20030064967-A1 Methods to increase plasma HDL cholesterol levels and improve HDL functionality with probucol monoesters HDLBP, CETP, APOB ALOX15 2135/4885HPN 167/4885MAPT 3773/4885
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 VCAM1, ICAM1, SELL ALOX15 237/4885HPN 900/4885MAPT 3002/4885
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL ALOX15 237/4885HPN 900/4885MAPT 3002/4885
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL ALOX15 237/4885HPN 900/4885MAPT 3002/4885

“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.