SCHEMBL5772966

SCHEMBL5772966

COC(=O)CCC1(C)CCc2cc(O)c(C)c(C)c2O1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.61
PDPK1 O15530 2/20 0.61
PHLPP1 O60346 2/20 0.61
ILK Q13418 2/20 0.61
ALOX5 P09917 8/20 0.58
PTGES O14684 1/20 0.51
BCHE P06276 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL14612809 0.93 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5441388 0.86 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL19659847 0.86 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL29393858 0.86 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL3270839 0.86 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL407517 0.86 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5771699 0.82 AKT1 (0.69) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL967402 0.82 AKT1 (0.41) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5773831 0.81 GSTO1 (0.47) ALOX5NR1I2
SCHEMBL18212526 0.81 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US claimed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US claimed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO claimed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 US claimed
WO-2004045534-A2 CHROMAN DERIVATIVES FOR THE REDUCTION OF INFLAMMATION SYMPTOMS GALILEO PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms MONSANTO TECHNOLOGY LLC 2004-05-20 US claimed
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US disclosed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US disclosed
US-20070037878-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease WECHTER WILLIAM J 2007-02-15 US disclosed
US-20070037879-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease WECHTER WILLIAM J 2007-02-15 US disclosed
US-7034054-B2 Methods for the prevention and treatment of cerebral ischemia using non-alpha tocopherols GALILEO PHARMACEUTICALS, INC. (US) 2006-04-25 US disclosed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 US disclosed
US-20040152764-A1 Compositions and methods for the prevention and treatment of cerebral ischemia MILLER GUY M (US) 2004-08-05 US disclosed
WO-2004045534-A2 CHROMAN DERIVATIVES FOR THE REDUCTION OF INFLAMMATION SYMPTOMS GALILEO PHARMACEUTICALS, INC. (US) 2004-06-03 WO disclosed
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms MONSANTO TECHNOLOGY LLC 2004-05-20 US disclosed
WO-2002047680-A9 USE OF TOCOPHEROL, METABOLITES OR DERIVATIVES THEREOF OR FLAVONOID METABOLITES OR DERIVATIVES THEREOF IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TISSUE ISCHEMIA GALILEO LAB INC (US) 2003-10-09 WO disclosed
US-20020143049-A1 Compositions and methods for the prevention and treatment of cerebral ischemia PTC THERAPEUTICS, INC. 2002-10-03 US disclosed
WO-2002047680-A2 USE OF TOCOPHEROL, METABOLITES OR DERIVATIVES THEREOF OR FLAVONOID METABOLITES OR DERIVATIVES THEREOF IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TISSUE ISCHEMIA GALILEO LABORATORIES, INC. (US) 2002-06-20 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 (8 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-20020143049-A1 Compositions and methods for the prevention and treatment of cerebral ischemia EBP, NDUFB3, ECH1 AKT1 2184/4885PDPK1 2120/4885PHLPP1 3289/4885
US-20070037879-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease TTPA, LTA, GSTM1 AKT1 3368/4885PDPK1 4164/4885PHLPP1 3614/4885
US-20070037878-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease TTPA, LTA, GSTM1 AKT1 3368/4885PDPK1 4164/4885PHLPP1 3614/4885
US-20040152764-A1 Compositions and methods for the prevention and treatment of cerebral ischemia EBP, NDUFB3, ECH1 AKT1 2184/4885PDPK1 2120/4885PHLPP1 3289/4885
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN AKT1 3301/4885PDPK1 1893/4885PHLPP1 2723/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885PDPK1 2127/4885PHLPP1 2278/4885
US-20040097433-A1 Chroman derivatives for the reduction of inflammation symptoms CCL2, MPO, MB AKT1 4329/4885PDPK1 2675/4885PHLPP1 3569/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885PDPK1 2127/4885PHLPP1 2278/4885

“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.