SCHEMBL5046616

SCHEMBL5046616

CCOc1cccc(OCc2ccc3c(c2)OCC(C)(C)CO3)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
MAOA P21397 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27721180 0.87 MAOB (0.51) MAOBMAOANPC1RAB9A
SCHEMBL5046832 0.83 NPC1 (0.49) MAOBMAOANPC1RAB9A
SCHEMBL5048058 0.80 NPC1 (0.49) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL5046586 0.77 PDE5A (0.47) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL5046575 0.77 NPC1 (0.46) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL5046757 0.76 MAPT (0.53) MAOBNPC1RAB9AALDH1A1
SCHEMBL5567525 0.75 NPC1 (0.53) NPC1RAB9A
SCHEMBL5043403 0.72 ACACB (0.52) NPC1RAB9AALDH1A1
SCHEMBL22964154 0.71 CALM1 (0.64) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL18614337 0.70 MAOB (0.59) MAOBMAOANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459480-B2 Benzodioxepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US claimed
EP-1682528-B1 BENZO [b][1,4] DIOXEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-12 EP claimed
EP-1682528-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP claimed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 US claimed
WO-2005044814-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO claimed
US-7459480-B2 Benzodioxepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
EP-1682528-B1 BENZO [b][1,4] DIOXEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-12 EP disclosed
EP-1682528-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 US disclosed
WO-2005044814-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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-20050113374-A1 Benzodioxepine derivatives BBOX1, ACOX1, ACOX3 MAOB 4/4885MAOA 19/4885NPC1 2203/4885

“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.