SCHEMBL13609378

SCHEMBL13609378

CC(=O)CCCOc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.60
▸ ALOX15 P16050 5/20 0.55
▸ HPN P05981 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 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
Elsibucol SCHEMBL6002307 0.90 VCAM1 (0.73) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL6000617 0.88 VCAM1 (0.73) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14037559 0.85 VCAM1 (0.70) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL13609380 0.85 VCAM1 (0.63) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042598 0.83 ALOX15 (0.62) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042599 0.82 ALOX15 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14586319 0.82 VCAM1 (0.67) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14586314 0.82 VCAM1 (0.53) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5575964 0.82 ALOX15 (0.64) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12012989 0.82 VCAM1 (0.83) 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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.

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