Dioxane

Dioxane

SCHEMBL4259401

C1COCCO1.CCCC[Sn](CCCC)(CCCC)c1ncccn1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL109668 0.89 CYP2D6 (0.34) ALDH1A1CYP1A2USP2LMNA
Pyrimidine SCHEMBL6585223 0.80 TDP1 (0.33) CYP1A2
SCHEMBL12615558 0.74 MEN1 (0.43) ALDH1A1CYP1A2USP2
SCHEMBL3689268 0.70 SMN1; SMN2 (0.42) MAPK1ALDH1A1CYP1A2CHRM2CHRM1
SCHEMBL29893529 0.69 KDM4E (0.33) ALDH1A1
SCHEMBL11064389 0.69 TLR8 (0.37)
SCHEMBL28893694 0.68 CYP1A2 (0.32) CYP1A2
SCHEMBL5719734 0.68 L3MBTL1 (0.32) MAPK1ALDH1A1CYP1A2LMNA
SCHEMBL17584302 0.68
Oxirane SCHEMBL1798956 0.68 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575152-B2 Non-steroidal compounds useful as glucocorticoid receptor modulators MERCK SHARP & DOHME B.V. (NL) 2013-11-05 US disclosed
EP-1924580-B1 NON-STEROIDAL COMPOUNDS USEFUL AS GLUCOCORTICOID RECEPTOR MODULATORS ORGANON NV (NL) 2009-01-21 EP disclosed
US-20080188459-A1 Non-Steroidal Compounds Useful as Glucocorticoid Receptor Modulators N.V. ORGANON (NL) 2008-08-07 US disclosed
EP-1924580-A1 NON-STEROIDAL COMPOUNDS USEFUL AS GLUCOCORTICOID RECEPTOR MODULATORS N.V. Organon (NL) 2008-05-28 EP disclosed
WO-2007025938-A1 NON-STEROIDAL COMPOUNDS USEFUL AS GLUCOCORTICOID RECEPTOR MODULATORS N.V. ORGANON (NL) 2007-03-08 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-20080188459-A1 Non-Steroidal Compounds Useful as Glucocorticoid Receptor Modulators NR3C1, NR3C2, MC2R MAPK1 815/4885ALDH1A1 2468/4885CYP1A2 401/4885

“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.