SCHEMBL12640681

SCHEMBL12640681

CC1=C(C)C(=O)C(CCC(C)(O)CC/C=C(\C)CC/C=C(\C)CCCC(C)(C)O)=C(C)C1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.80
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
CDC25B P30305 1/20 0.47
MAOB P27338 2/20 0.39
LMNA P02545 1/20 0.37
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
PTGS1 P23219 2/20 0.36
PDE4A P27815 2/20 0.36
SNCA P37840 2/20 0.36
PDE3A Q14432 2/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL23298141 0.90 ALOX15 (0.75) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL1713839 0.90 ALOX15 (0.75) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL1723909 0.90 ALOX15 (0.75) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL1713838 0.90 ALOX15 (0.75) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL1713835 0.90 ALOX15 (0.75) ALOX15PTPN2PTPN1CDC25BMAOB
Vatiquinone SCHEMBL502413 0.89 ALOX15 (1.00) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL6126503 0.89 ALOX15 (1.00) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL2591895 0.89 ALOX15 (1.00) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL13836177 0.89 ALOX15 (1.00) ALOX15PTPN2PTPN1CDC25BMAOB
SCHEMBL24736747 0.89 ALOX15 (1.00) ALOX15PTPN2PTPN1CDC25BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-1986636-B1 PHENOL AND 1,4-BENZOQUINONE DERIVATIVES FOR USE IN THE TREATMENT OF MITOCHONDRIAL DISEASES EDISON PHARMACEUTICALS INC (US) 2013-04-24 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-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

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

For each of this compound's patents that has machine-readable text (2 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-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.