Dioxane

Dioxane

SCHEMBL3046907

C1COCCO1.CC(C)(C)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
Dioxane SCHEMBL6854158 0.96 TTR (0.46) TTRSMN1; SMN2USP2ALDH1A1RECQL
Dioxane SCHEMBL1476307 0.96 TTR (0.46) TTRSMN1; SMN2USP2ALDH1A1RECQL
Tert-Butanol SCHEMBL18420144 0.96
Dioxane SCHEMBL1277036 0.88 TTR (0.46) TTRSMN1; SMN2USP2ALDH1A1RECQL
Dioxane SCHEMBL7231219 0.87 SMN1; SMN2 (0.46) TTRSMN1; SMN2USP2ALDH1A1RECQL
Tetrahydrofuran SCHEMBL711363 0.85 ALDH1A1 (0.57) TTRSMN1; SMN2USP2ALDH1A1RECQL
Tert-Butanol SCHEMBL8113356 0.82 ALDH1A1 (0.53) TTRALDH1A1RECQL
Tetrahydrofuran SCHEMBL11173089 0.82 ALDH1A1 (0.53) TTRALDH1A1RECQL
Tetrahydrofuran SCHEMBL3464478 0.82 ALDH1A1 (0.53) TTRALDH1A1RECQL
Tetrahydrofuran SCHEMBL10597993 0.82 ALDH1A1 (0.53) TTRALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521298-A Preparation method of brexpiprazole 江苏慧聚药业股份有限公司 2022-12-27 CN claimed
US-12029816-B2 Compositions and methods of making brittle-matrix particles through blister pack freezing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-09 US disclosed
CN-117820816-A Flame-retardant and easily-degradable epoxy resin precursor, cured product, preparation method and application 中国科学院宁波材料技术与工程研究所 2024-04-05 CN disclosed
CN-115521298-A Preparation method of brexpiprazole 江苏慧聚药业股份有限公司 2022-12-27 CN disclosed
US-11364197-B2 Compositions and methods of making brittle-matrix particles through blister pack freezing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-21 US disclosed
US-20210007971-A1 COMPOSITIONS AND METHODS OF MAKING BRITTLE-MATRIX PARTICLES THROUGH BLISTER PACK FREEZING UNIV TEXAS (US) 2021-01-14 US disclosed
US-10660850-B2 Compositions and methods of making brittle-matrix particles through blister pack freezing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-05-26 US disclosed
US-20200069572-A1 COMPOSITIONS AND METHODS OF MAKING BRITTLE-MATRIX PARTICLES THROUGH BLISTER PACK FREEZING UNIV TEXAS (US) 2020-03-05 US disclosed
US-10434062-B2 Compositions and methods of making brittle-matrix particles through blister pack freezing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-08 US disclosed
US-20190117557-A1 COMPOSITIONS AND METHODS OF MAKING BRITTLE-MATRIX PARTICLES THROUGH BLISTER PACK FREEZING UNIV TEXAS (US) 2019-04-25 US disclosed
WO-2009103035-A2 TEMPLATED OPEN FLOCS OF ANISOTROPIC PARTICLES FOR ENHANCED PULMONARY DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-08-20 WO disclosed
US-20090208582-A1 Templated Open Flocs of Anisotropic Particles for Enhanced Pulmonary Delivery BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-08-20 US disclosed
EP-1942892-A1 SOLID DISPERSIONS OF OPIOID ANTAGONISTS Adolor Corporation (US) 2008-07-16 EP disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed
WO-2007044713-A1 SOLID DISPERSIONS OF OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2007-04-19 WO disclosed
US-7138420-B2 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20050203158-A1 Substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US disclosed
EP-1529046-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-11 EP disclosed
WO-2004014905-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO disclosed
US-6114526-A REACTING AN AMINO DERIVATIVE WITH A HETEROCYCLIC DIONE COMPOUND TO FORM AN ANTIDIABETIC AGENT DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-05 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 (1 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-20050203158-A1 Substituted benzimidazole compounds ITK, BLK, SBK1 TTR 4741/4885SMN1; SMN2 4120/4885USP2 4017/4885

“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.