SCHEMBL7568308

SCHEMBL7568308

CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCCC(=O)O)c(C(C)(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 1.00
ALOX15 P16050 5/20 0.53
HPN P05981 1/20 0.53
MAPT P10636 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
TSHR P16473 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
Succinobucol SCHEMBL347492 0.92 VCAM1 (1.00) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8353439 0.91 VCAM1 (0.90) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8352308 0.90 VCAM1 (0.82) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8353431 0.90 VCAM1 (0.82) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL6054982 0.90 VCAM1 (0.92) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042604 0.89 VCAM1 (0.81) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8100563 0.87 VCAM1 (0.90) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042606 0.86 VCAM1 (0.81) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8191857 0.86 VCAM1 (0.79) VCAM1ALOX15HPNMAPTSIRT5
Elsibucol SCHEMBL6002307 0.85 VCAM1 (0.73) VCAM1ALOX15HPNMAPTSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622604-B2 via grignard intermediate such as benzylmagnesium chloride and esterification with succinic anhydride; inflammatory and cardiovascular diseases; optimizes the amount of monoester in the final product mixture and minimizes the amount of reagents; e.g. synthesis of succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2009-11-24 US disclosed
US-7622604-B2 via grignard intermediate such as benzylmagnesium chloride and esterification with succinic anhydride; inflammatory and cardiovascular diseases; optimizes the amount of monoester in the final product mixture and minimizes the amount of reagents; e.g. synthesis of succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2009-11-24 US disclosed
US-20080009642-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof CRABTREE ACQUISITION CO, LLC 2008-01-10 US disclosed
US-20080009642-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof CRABTREE ACQUISITION CO, LLC 2008-01-10 US disclosed
US-7294737-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-11-13 US disclosed
US-7294737-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-11-13 US disclosed
US-20070260087-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof ATHEROGENICS, INC. (US) 2007-11-08 US disclosed
US-20070260087-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof ATHEROGENICS, INC. (US) 2007-11-08 US disclosed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US disclosed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US disclosed
WO-2007044726-A2 METHODS FOR REDUCING PLATELET ACTIVATION AND FOR THE TREATMENT OF THROMBOTIC EVENTS ATHEROGENICS, INC. (US) 2007-04-19 WO disclosed
WO-2005102323-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2005-11-03 WO disclosed
WO-2003039231-A2 COMPOUNDS AND METHODS FOR TREATING TRANSPLANT REJECTION ATHEROGENICS, INC. (US) 2003-05-15 WO disclosed
WO-2002087556-A9 PROBUCOL MONOESTERS AND THEIR USE TO INCREASE PLASMA HDL CHOLESTEROL LEVELS AND IMPROVE HDL FUNCTIONALITY ATHEROGENICS INC (US) 2003-03-20 WO disclosed
EP-0637959-B1 SOLUBLE ANALOGS OF PROBUCOL ATHEROGENICS INC (US) 2002-08-21 EP disclosed
EP-1161946-A2 Soluble analogs of probucol AtheroGenics, Inc. (US) 2001-12-12 EP disclosed
EP-0637959-A4 SOLUBLE ANALOGS OF PROBUCOL. UNIV CALIFORNIA (US) 1995-03-29 EP disclosed
EP-0637959-A1 SOLUBLE ANALOGS OF PROBUCOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-02-15 EP disclosed
US-5262439-A Including succinobucol (AGI-1067), monosuccinic acid ester of probucol; oxidation related conditions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-11-16 US disclosed
WO-1993021914-A1 SOLUBLE ANALOGS OF PROBUCOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-11-11 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 (2 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-20080009642-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof NR3C2, MGLL, GCG VCAM1 4649/4885ALOX15 1829/4885HPN 2326/4885
US-20070260087-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof CETP, PNLIP, CEL VCAM1 2904/4885ALOX15 417/4885HPN 1608/4885

“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.