SCHEMBL407517

SCHEMBL407517

Cc1c(O)cc2c(c1C)OC(C)(CCC(=O)O)CC2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.65
PDPK1 O15530 2/20 0.65
PHLPP1 O60346 2/20 0.65
ILK Q13418 2/20 0.65
ALOX5 P09917 10/20 0.64
PTGES O14684 1/20 0.56
NR1I2 O75469 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL5441388 1.00 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL3270839 1.00 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL29393858 1.00 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL19659847 0.90 AKT1 (0.65) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL4193356 0.87 AKT1 (0.60) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5772966 0.86 AKT1 (0.61) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL4780480 0.85 ALOX5 (0.51) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL14580950 0.84 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL18212526 0.84 AKT1 (0.70) AKT1PDPK1PHLPP1ILKALOX5
SCHEMBL5771546 0.84 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 169 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170059553-A1 BIOMARKER FOR DIAGNOSIS OF IRRITABLE BOWEL SYNDROME ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-02 US claimed
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
EP-1634958-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CHROMAN-CARBOXYLATE MITSUBISHI GAS CHEMICAL CO (JP) 2009-02-18 EP claimed
EP-1199075-B1 The use of gamma-CEHC as antioxidants EISAI R&D MAN CO LTD (JP) 2007-04-18 EP claimed
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 claimed
US-7119117-B2 Tocopherol enriched compositions and amelioration of inflammatory symptoms GALILEO PHARMACEUTICALS, INC. (US) 2006-10-10 US claimed
US-7081476-B2 Tocopherol enriched compositions for reducing IL6 levels GALILEO PHARMACEUTICALS, INC. (US) 2006-07-25 US claimed
US-20060141591-A1 Method for producing optically active chroman-carboxylate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-06-29 US claimed
EP-1634958-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CHROMAN-CARBOXYLATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-03-15 EP claimed
US-6555575-B2 Administering one of 2,5,7,8-tetramethyl-2-(beta-carboxyethyl)-6-hydroxychromane, or 2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychromane, as antioxidants; arteriosclerosis LOMA LINDA UNIVERSITY MEDICAL CENTER 2003-04-29 US claimed
US-20030027857-A1 Tocotrienol derivative, process for producing the same and gamma-CEHC delivering agent JIRO TAKATA (JP) 2003-02-06 US claimed
US-20020165268-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease WECHTER WILLIAM J (US) 2002-11-07 US claimed
EP-1140065-A4 USE OF GAMMA-TOCOPHEROL AND ITS OXIDATIVE METABOLITE LLU-ALPHA IN THE TREATMENT OF DISEASE UNIV LOMA LINDA MED (US) 2002-10-16 EP claimed
EP-1199075-A2 Use of vitamine E metabolites alpha-CEHC and gamma-CEHC as antioxidants Eisai Co., Ltd. (JP) 2002-04-24 EP claimed
US-20020040053-A1 Antioxidant containing vitamin E metabolite MITSUBISHI-CHEMICAL FOODS CORPORATION (JP) 2002-04-04 US claimed
EP-1140065-A1 USE OF GAMMA-TOCOPHEROL AND ITS OXIDATIVE METABOLITE LLU-ALPHA IN THE TREATMENT OF DISEASE LOMA LINDA UNIVERSITY MEDICAL CENTER (US) 2001-10-10 EP claimed
US-6242479-B1 ADMINISTERING ORALLY OR PARENTALLY TO PREVENT CARDIOVASCULAR, NERVOUS SYSTEM, OR BRAIN DISORDERS; ANTIOXIDANTS, ANTICOAGULANTS, HYPOTENSIVE AGENTS; ATHEROSCLEROSIS LOMA LINDA UNIVERSITY MEDICAL CENTER 2001-06-05 US claimed
WO-2000035444-A1 USE OF η-TOCOPHEROL AND ITS OXIDATIVE METABOLITE LLU-α IN THE TREATMENT OF DISEASE LOMA LINDA UNIVERSITY MEDICAL CENTER (US) 2000-06-22 WO claimed
US-6048891-A ADMINISTERING MIXTURES WITH 6-HYDROXY-2,7,8-TRIMETHYL-CHROMAN-2-PROPANOIC ACID FOR TREATMENT OF CARDIOVASCULAR AND KIDNEY DISORDERS LOMA LINDA UNIVERSITY MEDICAL CENTER (US) 2000-04-11 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-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-20020165268-A1 Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease TTPA, LTA, LPO AKT1 3599/4885PDPK1 4172/4885PHLPP1 3792/4885
US-20030027857-A1 Tocotrienol derivative, process for producing the same and gamma-CEHC delivering agent TTPA, CYP46A1, DHCR24 AKT1 4617/4885PDPK1 4709/4885PHLPP1 3663/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885PDPK1 2127/4885PHLPP1 2278/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 AKT1 3502/4885PDPK1 2127/4885PHLPP1 2278/4885
US-20020040053-A1 Antioxidant containing vitamin E metabolite TTPA, TXNRD2, CYP27B1 AKT1 3874/4885PDPK1 4156/4885PHLPP1 3970/4885
US-20060141591-A1 Method for producing optically active chroman-carboxylate ACMSD, ADH5, ADH1C AKT1 1956/4885PDPK1 1236/4885PHLPP1 4215/4885

“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.