SCHEMBL4246204

SCHEMBL4246204

Cc1cc(C)c(C)c([Mg]Br)c1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL10320254 0.75 CYP3A4 (0.32) CYP3A4TSHRMAPK1
SCHEMBL4249583 0.74
SCHEMBL28040406 0.73 CYP3A4 (0.30) CYP3A4TSHRMAPK1
SCHEMBL10319143 0.71 PGK1 (0.30)
SCHEMBL366710 0.71 RAPGEF4 (0.39) TSHR
SCHEMBL27140744 0.67 CA12 (0.33)
SCHEMBL120101 0.66 TSHR (0.39) CYP3A4TSHRMAPK1
SCHEMBL1793576 0.65 CYP1A2 (0.52) CYP3A4TSHRMAPK1
SCHEMBL30010076 0.65 CYP3A4 (0.33) CYP3A4TSHRMAPK1
SCHEMBL5351238 0.65 PGK1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
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-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US disclosed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP disclosed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP disclosed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US disclosed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO disclosed
EP-0873328-A1 SUBSTITUTED 1,2,4,6-THIATRIAZINES USEFUL AS HERBICIDES Novartis AG (CH) 1998-10-28 EP disclosed
WO-1997025319-A1 SUBSTITUTED 1,2,4,6-THIATRIAZINES USEFUL AS HERBICIDES NOVARTIS AG (CH) 1997-07-17 WO disclosed
WO-1992010177-A1 PHARMACEUTICAL COMPOSITIONS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1992-06-25 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 CYP3A4 91/4885TSHR 1000/4885MAPK1 484/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG CYP3A4 91/4885TSHR 1000/4885MAPK1 484/4885

“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.