SCHEMBL2029504

SCHEMBL2029504

COc1c(C)c(C)c(OC)c(CCl)c1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 12/20 0.33
IMPDH1 P20839 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL14458460 0.90 IMPDH2 (0.33) IMPDH2IMPDH1CA1CA2CA4
SCHEMBL5145143 0.88
SCHEMBL10748647 0.87 CA1 (0.31) IMPDH2CA1CA2CA4CA6
SCHEMBL5086099 0.85 CA1 (0.30) CA1CA2CA4CA6
SCHEMBL8924397 0.82 IMPDH2 (0.40) IMPDH2IMPDH1
SCHEMBL11425051 0.79 IMPDH2 (0.33) IMPDH2
SCHEMBL15071874 0.79 CA2 (0.42) IMPDH2IMPDH1CA1CA2CA4
SCHEMBL14459544 0.76 IMPDH2 (0.34) IMPDH2
SCHEMBL12640817 0.76
SCHEMBL3044602 0.75 IMPDH2 (0.31) IMPDH2IMPDH1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055975-A1 REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS PTC THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11021424-B2 Redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. (US) 2021-06-01 US disclosed
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
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
EP-2564843-B1 Redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers BIOELECTRON TECH CORP (US) 2018-12-26 EP 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-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
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-20060281809-A1 Redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2006-12-14 US disclosed
WO-2006130775-A2 REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMAKERS EDISON PHARMACEUTICALS, INC. (US) 2006-12-07 WO disclosed
US-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US disclosed
EP-0693474-A1 NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Toyo Boseki Kabushiki Kaisha (JP) 1996-01-24 EP disclosed
CN-1114644-A Novel benzylaminoethoxybenzene derivatives, production thereof and use thereof TOYO BOSEKI (JP) 1996-01-10 CN disclosed
US-5110955-A Chiral rhodium or palladium-diphosphine catalyst HOFFMANN-LA ROCHE INC. (US) 1992-05-05 US disclosed
US-4234490-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US disclosed
US-4201879-A Hydroquinones HOFFMANN-LA ROCHE INC. (US) 1980-05-06 US disclosed
US-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 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-20060281809-A1 Redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers ECHS1, FH, ACAA2 IMPDH2 3688/4885IMPDH1 3441/4885CA1 2709/4885
US-11021424-B2 Redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers ECHS1, FH, ACAA2 IMPDH2 3688/4885IMPDH1 3441/4885CA1 2709/4885
US-20220055975-A1 REDOX-ACTIVE THERAPEUTICS FOR TREATMENT OF MITOCHONDRIAL DISEASES AND OTHER CONDITIONS AND MODULATION OF ENERGY BIOMARKERS ECHS1, FH, ACAA2 IMPDH2 3688/4885IMPDH1 3441/4885CA1 2709/4885

“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.