SCHEMBL1187679

SCHEMBL1187679

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
DHODH Q02127 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
CDC25B P30305 1/20 0.44
SORT1 Q99523 2/20 0.35
DAO P14920 2/20 0.35
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL14747552 0.91 IDO1 (0.63) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL14878750 0.88 IDO1 (0.47) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL1187449 0.83 PTPN2 (0.55) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL17149248 0.79 IDO1 (0.56) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL23403885 0.76 PTPN1 (0.68) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL13139046 0.76 PTPN1 (0.68) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL1723691 0.76 PTPN1 (0.68) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL1724050 0.76 PTPN1 (0.68) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL3217423 0.76 PTPN1 (0.68) IDO1DHODHPTPN2PTPN1CDC25B
SCHEMBL1723665 0.76 PTPN1 (0.68) IDO1DHODHPTPN2PTPN1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322337-A1 TREATMENT OF OXIDATIVE STRESS DISORDERS INCLUDING CONTRAST NEPHROPATHY, RADIATION DAMAGE AND DISRUPTIONS IN THE FUNCTION OF RED CELLS PTC THERAPEUTICS, INC. 2021-10-21 US disclosed
EP-2332534-B1 Phenol and benzoquinone derivatives for use in the treatment of mitochondrial diseases and modulation of energy biomarkers BIOELECTRON TECH CORP (US) 2018-11-14 EP disclosed
US-20180303767-A1 TREATMENT OF OXIDATIVE STRESS DISORDERS INCLUDING CONTRAST NEPHROPATHY, RADIATION DAMAGE AND DISRUPTIONS IN THE FUNCTION OF RED CELLS BIOELECTRON TECHNOLOGY CORPORATION (US) 2018-10-25 US disclosed
US-10039722-B2 Treatment of oxidative stress disorders including contrast nephropathy, radiation damage and disruptions in the function of red cells BIOELECTRON TECHNOLOGY CORPORATION (US) 2018-08-07 US disclosed
US-20180200248-A1 TREATMENT OF HEARING AND BALANCE IMPAIRMENTS WITH REDOX-ACTIVE THERAPEUTICS BIOELECTRON TECHNOLOGY CORPORATION 2018-07-19 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
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
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-20110046156-A1 TREATMENT OF HEARING AND BALANCE IMPAIRMENTS WITH REDOX-ACTIVE THERAPEUTICS EDISON PHARMACEUTICALS, INC. 2011-02-24 US disclosed
EP-2262519-A2 TREATMENT OF HEARING AND BALANCE IMPAIRMENTS WITH REDOX-ACTIVE THERAPEUTICS Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2010045220-A1 TREATMENT OF OXIDATIVE STRESS DISORDERS INCLUDING CONTRAST NEPHROPATHY, RADIATION DAMAGE AND DISRUPTIONS IN THE FUNCTION OF RED CELLS EDISON PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2009111543-A2 TREATMENT OF HEARING AND BALANCE IMPAIRMENTS WITH REDOX-ACTIVE THERAPEUTICS EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed
EP-1986636-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) 2008-11-05 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
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
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 (6 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-20110046156-A1 TREATMENT OF HEARING AND BALANCE IMPAIRMENTS WITH REDOX-ACTIVE THERAPEUTICS TXN2, TXNRD2, OTC IDO1 2637/4885DHODH 601/4885PTPN2 4220/4885
US-20180303767-A1 TREATMENT OF OXIDATIVE STRESS DISORDERS INCLUDING CONTRAST NEPHROPATHY, RADIATION DAMAGE AND DISRUPTIONS IN THE FUNCTION OF RED CELLS GPX4, TXN2, TXNRD1 IDO1 1922/4885DHODH 332/4885PTPN2 2705/4885
US-10039722-B2 Treatment of oxidative stress disorders including contrast nephropathy, radiation damage and disruptions in the function of red cells GPX4, TXN2, TXNRD1 IDO1 1922/4885DHODH 332/4885PTPN2 2705/4885
US-20180200248-A1 TREATMENT OF HEARING AND BALANCE IMPAIRMENTS WITH REDOX-ACTIVE THERAPEUTICS TXN2, TXNRD2, OTC IDO1 2637/4885DHODH 601/4885PTPN2 4220/4885
US-20210322337-A1 TREATMENT OF OXIDATIVE STRESS DISORDERS INCLUDING CONTRAST NEPHROPATHY, RADIATION DAMAGE AND DISRUPTIONS IN THE FUNCTION OF RED CELLS GPX4, TXN2, TXNRD1 IDO1 1922/4885DHODH 332/4885PTPN2 2705/4885
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 IDO1 3841/4885DHODH 541/4885PTPN2 4781/4885

“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.