SCHEMBL1974691

SCHEMBL1974691

CC(=O)Oc1c(C)cc(CBr)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
CFD P00746 1/20 0.38
CA2 P00918 1/20 0.36
PTPN1 P18031 2/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 2/20 0.35
TNFSF11 O14788 1/20 0.35
ACHE P22303 2/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 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
SCHEMBL1979635 0.82 CYP4F2 (0.51) HTTKDM4EHSD17B10TP53GAA
SCHEMBL24202214 0.81 HTT (0.45) HTTKDM4EHSD17B10TP53GAA
SCHEMBL7658347 0.81 TOP1 (0.47) HTTKDM4EHSD17B10GAAMAPT
SCHEMBL19640145 0.80 HTT (0.37) HTTKDM4EHSD17B10TP53GAA
SCHEMBL7659166 0.79 TUBB4A (0.50) HSD17B10GAAMAPTALDH1A1ALOX5
SCHEMBL8673567 0.79 HTT (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL15463122 0.79 HTT (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL28717635 0.79 THRB (0.45) HTTKDM4EHSD17B10TP53GAA
SCHEMBL12445342 0.78 ALDH1A1 (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL5034651 0.78 HMGB1 (0.51) HTTKDM4EHSD17B10TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536336-B2 Prodrug compounds useful as cannabinoid ligands ABBVIE INC. (US) 2013-09-17 US disclosed
WO-2011075522-A1 PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS ABBOTT LABORATORIES (US) 2011-06-23 WO disclosed
US-20110144165-A1 PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS ABBOTT LABORATORIES (US) 2011-06-16 US disclosed
EP-1468692-B1 Use of 2,6-di-alkyl-4-silyl-phenols for treating xanthoma MERRELL PHARMA INC (US) 2006-04-26 EP disclosed
EP-0732928-B1 METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS MERRELL PHARMA INC (US) 2004-12-22 EP disclosed
EP-1468692-A2 Use of 2,6-di-alkyl-4-silyl-phenols for treating xanthoma MERRELL PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
EP-1468693-A2 Use of 2,6-di -alkyl-4-silyl-phenols for treating diabetes mellitus MERRELL PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
EP-0942896-B1 SUBSTITUTED PHENOLS AND THIOPHENOLS USEFUL AS ANTIOXIDANT AGENTS AVENTIS PHARMA INC (US) 2003-04-16 EP disclosed
EP-0998477-B1 Alkyl-4-silylheterocyclic phenols and thiophenols as antioxidant agents AVENTIS PHARMA INC (US) 2003-03-26 EP disclosed
EP-0900225-B1 ALKYL-4-SILYL-PHENOLS AND ESTERS THEREOF AS ANTIATHEROSCLEROTIC AGENTS AVENTIS PHARMA INC (US) 2002-01-30 EP disclosed
EP-0732928-A1 METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS MERRELL PHARMACEUTICALS INC. (US) 1996-09-25 EP disclosed
US-5532400-A 2,6-di-alkyl-4-silyl-phenols as antiatheroscelerotic agents MERRELL PHARMACEUTICALS INC. (US) 1996-07-02 US disclosed
EP-0464852-B1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
EP-0464844-B1 Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMA (US) 1995-12-27 EP disclosed
WO-1995015760-A1 METHOD OF LOWERING SERUM CHOLESTEROL LEVELS WITH 2,6-DI-ALKYL-4-SILYL-PHENOLS MERRELL PHARMACEUTICALS INC. (US) 1995-06-15 WO disclosed
US-5304668-A Bis-[4-(2,6-di-alkyl)phenolisilane derivatives as antiatherosclerotic agents MERRELL DOW PHARMACEUTICALS (US) 1994-04-19 US disclosed
US-5281738-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-01-25 US disclosed
US-5155250-A 2,6-DI-ALKYL-4-SILYL-PHENOLS AS ANTIATHEROSCEROTIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-13 US disclosed
EP-0464844-A1 Novel bis (4-(2,6-di-alkyl)phenol)silane derivatives as antiatherosclerotic agents and as antioxidants MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-08 EP disclosed
EP-0464852-A1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL PHARMACEUTICALS INC. (US) 1992-01-08 EP 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-20110144165-A1 PRODRUG COMPOUNDS USEFUL AS CANNABINOID LIGANDS CNR2, CNR1, OPRL1 HTT 3988/4885KDM4E 2269/4885HSD17B10 3554/4885

“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.