SCHEMBL7554702

SCHEMBL7554702

CC1=C(C)C(=O)C(CCC(C)(C)O)=C(C)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.58
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
CDC25B P30305 1/20 0.54
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR2 P30518 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
HTT P42858 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL10916224 0.82 ALOX15 (0.62) ALOX15PTPN2PTPN1CDC25BMAPT
SCHEMBL10406282 0.82 ALOX15 (0.54) ALOX15PTPN2PTPN1CDC25BALDH1A1
SCHEMBL10916221 0.82 ALOX15 (0.62) ALOX15PTPN2PTPN1CDC25BMAPT
SCHEMBL3358127 0.82 ALOX15 (0.54) ALOX15PTPN2PTPN1CDC25BALDH1A1
SCHEMBL21032650 0.81 ALOX15 (0.53) ALOX15PTPN2PTPN1CDC25B
SCHEMBL2059319 0.80 ALOX15 (0.55) ALOX15PTPN2PTPN1CDC25B
SCHEMBL1188174 0.80 ALOX15 (0.55) ALOX15PTPN2PTPN1CDC25B
SCHEMBL9718129 0.80 ALOX15 (0.51) ALOX15PTPN2PTPN1CDC25B
SCHEMBL9718189 0.80 ALOX15 (0.51) ALOX15PTPN2PTPN1CDC25B
SCHEMBL2058854 0.80 ALOX15 (0.55) ALOX15PTPN2PTPN1CDC25B

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-11938101-B2 Polymorphic forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide PTC THERAPEUTICS, INC. (US) 2024-03-26 US disclosed
US-9932286-B2 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers BIOELECTRON TECHNOLOGY CORPORATION (US) 2018-04-03 US disclosed
US-9932286-B2 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers BIOELECTRON TECHNOLOGY CORPORATION (US) 2018-04-03 US disclosed
EP-2617418-B1 PHENOL AND 1,4-BENZOQUINONE DERIVATIVES FOR USE IN THE TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECH CORP (US) 2017-11-22 EP disclosed
US-20160244392-A1 SIDE-CHAIN VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS PTC THERAPEUTICS, INC. 2016-08-25 US disclosed
US-20160244392-A1 SIDE-CHAIN VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS PTC THERAPEUTICS, INC. 2016-08-25 US disclosed
US-9278085-B2 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9278085-B2 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
EP-2617418-A1 Side chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers Edison Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
EP-2617417-A1 Side chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers Edison Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
EP-2332534-A1 Phenol and benzoquinone derivatives for use in the treatment of mitochondrial diseases and modulation of energy biomarkers Edison Pharmaceuticals, Inc. (US) 2011-06-15 EP disclosed
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
US-20070225261-A1 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2007-09-27 US disclosed
US-20070225261-A1 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2007-09-27 US disclosed
WO-2007100652-A2 SIDE CHAIN VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS EDISON PHARMACEUTICALS, INC. (US) 2007-09-07 WO disclosed
EP-0846109-B1 QUINONE COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-24 EP disclosed
US-6011046-A Quinone compound, its production and use as antioxidant TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-04 US disclosed
EP-0846109-A1 QUINONE COMPOUND, ITS PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-06-10 EP disclosed
WO-1997007109-A1 QUINONE COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-27 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 (4 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-20160244392-A1 SIDE-CHAIN VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS FH, NDUFAB1, ACAA2 ALOX15 420/4885PTPN2 4781/4885PTPN1 4730/4885
US-11938101-B2 Polymorphic forms of (R)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide HADHA, ACAA2, HOGA1 ALOX15 2705/4885PTPN2 4159/4885PTPN1 4287/4885
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES MPO, HMOX1, LPO ALOX15 64/4885PTPN2 1912/4885PTPN1 1958/4885
US-20070225261-A1 Side-chain variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers FH, NDUFAB1, ACAA2 ALOX15 420/4885PTPN2 4781/4885PTPN1 4730/4885

“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.