Dioxane

Dioxane

SCHEMBL299082

C1COCCO1.CC(C)O.COCCOC

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
TTR P02766 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.30
PIK3CD O00329 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
SCHEMBL4625372 0.86 TTR (0.43) TDP1TTRLMNATSHRGAA
Dioxane SCHEMBL2949971 0.86 TTR (0.43) TDP1TTRLMNATSHRGAA
Isopropyl Alcohol SCHEMBL27539668 0.83 ALDH1A1 (0.46) TDP1ALDH1A1LMNATSHRPIK3CD
Dioxane SCHEMBL23174669 0.82 HSD17B10 (0.41) TDP1TTRLMNAUSP2TSHR
Dioxane SCHEMBL4414289 0.80 ALDH1A1 (0.50) TTRALDH1A1LMNAUSP2
Oxirane SCHEMBL1783305 0.79
Dioxane SCHEMBL3104036 0.78 CA2 (0.35) TDP1TTR
Dioxane SCHEMBL8149387 0.78 CA2 (0.35) TDP1TTR
Dioxane SCHEMBL10324821 0.78 CA2 (0.35) TDP1TTR
Dioxane SCHEMBL11062125 0.77 TDP1 (0.41) TDP1ALDH1A1LMNAUSP2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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 (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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT TDP1 1217/4885TTR 32/4885ALDH1A1 676/4885

“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.