SCHEMBL4965386

SCHEMBL4965386

Cc1c(O)cc(C(C)(C)C)c(O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
ALDH1A1 P00352 5/20 0.56
ALOX15 P16050 5/20 0.56
CYP1A2 P05177 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ATP2A2 P16615 1/20 0.56
ATP2A3 Q93084 1/20 0.56
CA2 P00918 4/20 0.56
TYR P14679 2/20 0.56
POLB P06746 1/20 0.56
CA1 P00915 2/20 0.52
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
HIF1A Q16665 3/20 0.46
TP53 P04637 3/20 0.46
HSPA5 P11021 1/20 0.45
HPN P05981 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
GLRA3 O75311 1/20 0.43

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
SCHEMBL20132920 0.83 ALOX15 (0.59) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL8657615 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL9244593 0.82 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL30449795 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL1882430 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL11443426 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL8656911 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL8659595 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL11438035 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT
SCHEMBL23409677 0.79 ALOX15 (0.54) SMN1; SMN2ALDH1A1ALOX15CYP1A2MAPT

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
EP-1933821-B1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS PTC THERAPEUTICS INC (US) 2020-07-29 EP 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-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-7432305-B2 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
EP-1933821-A1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS Edison Pharmaceuticals, Inc. (US) 2008-06-25 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
WO-2007035496-A1 TAIL VARIANTS OF REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS EDISON PHARMACEUTICALS, INC. (US) 2007-03-29 WO disclosed
US-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2007-03-29 US 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 (3 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 SMN1; SMN2 299/4885ALDH1A1 406/4885ALOX15 420/4885
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 SMN1; SMN2 299/4885ALDH1A1 406/4885ALOX15 420/4885
US-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers FH, NDUFAB1, ECHS1 SMN1; SMN2 216/4885ALDH1A1 465/4885ALOX15 834/4885

“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.