Dioxane

Dioxane

SCHEMBL1758720

C1COCCO1.O=C([O-])[O-].[Na+].[Na+]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
CA1 P00915 4/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA4 P22748 3/20 0.40
FAHD1 Q6P587 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CA2 P00918 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LDHA P00338 1/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32

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
Bicarbonate SCHEMBL10990881 0.96 CA4 (0.43) TTRCA1CA12CA9CA4
Bicarbonate SCHEMBL10990882 0.96
Dioxane SCHEMBL1045521 0.92 TTR (0.46) TTRCA1CA12CA9CA4
Dioxane SCHEMBL28141413 0.92 TTR (0.46) TTRCA1CA12CA9CA4
Bicarbonate SCHEMBL28325709 0.92 CA4 (0.40) TTRCA1CA12CA9CA4
Dioxane SCHEMBL3328111 0.92 TTR (0.46) TTRCA1CA12CA9CA4
Dioxane SCHEMBL27496812 0.89 TTR (0.43) TTRCA1CA12CA9CA4
Dioxane SCHEMBL10803588 0.89 SMN1; SMN2 (0.43) TTRCA1CA12CA9CA4
Tetrahydrofuran SCHEMBL11210402 0.86 ALDH1A1 (0.53) TTRCA1CA12CA9CA4
Dioxane SCHEMBL13835212 0.86 CA1 (0.60) TTRCA1CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059967-A Diaryl amine compound with affinity with Tau protein, and preparation method and application thereof 北京师范大学 2024-12-03 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
EP-3746451-A1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-12-09 EP disclosed
WO-2019189766-A1 NOVEL BIARYL AMIDE DERIVATIVE 持田製薬株式会社 2019-10-03 WO disclosed
WO-2019149657-A1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-08 WO disclosed
CN-107011273-A The method of one kind synthesis amine of 6 iodine 3 (2,3 dichlorophenyl) pyrazine 2 无锡捷化医药科技有限公司 2017-08-04 CN disclosed
US-8852554-B2 Radiolabelled PDE10 ligands JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US disclosed
EP-2493513-B1 RADIOLABELLED PDE10 LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-20030139348-A1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. 2003-07-24 US disclosed
US-20020111461-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES SOMERS TODD C (US) 2002-08-15 US disclosed
EP-1117677-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF Statens Serum Institut (DK) 2001-07-25 EP disclosed
EP-0792289-B1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH INC (US) 2000-07-12 EP disclosed
EP-0999220-A2 Low molecular weight peptidomimetic growth hormone secretagogues Genentech, Inc. (US) 2000-05-10 EP disclosed
WO-2000018791-A1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUM INSTITUT (DK) 2000-04-06 WO disclosed
US-6034216-A Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC. (US) 2000-03-07 US disclosed
US-5798337-A USED TO PROMOTE GROWTH IN MAMMALS EITHER ALONE OR IN COMBINATION WITH OTHER GROWTH PROMOTING COMPOUNDS GENENTECH, INC. (US) 1998-08-25 US disclosed
EP-0792289-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH, INC. (US) 1997-09-03 EP disclosed
WO-1996015148-A2 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH, INC. (US) 1996-05-23 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 (4 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-20030139348-A1 Low molecular weight peptidomimetic growth hormone secretagogues GHSR, GHRHR, IGFBP1 TTR 4227/4885CA1 3802/4885CA12 2458/4885
US-20020111461-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, IGFBP1 TTR 4227/4885CA1 3802/4885CA12 2458/4885
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 TTR 1205/4885CA1 4480/4885CA12 4788/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR TTR 1266/4885CA1 4432/4885CA12 4769/4885

“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.