SCHEMBL5046757

SCHEMBL5046757

CCOC(=O)c1ccc(OCc2ccc3c(c2)OCC(C)(C)CO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
USP2 O75604 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
CYP3A4 P08684 1/20 0.44
PDE5A O76074 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL7310973 0.89 MEN1 (0.66) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5567525 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2RXRARXRB
SCHEMBL5046832 0.84 NPC1 (0.49) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL5046606 0.83 MAPT (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5046536 0.81 ACACB (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5048058 0.80 NPC1 (0.49) LMNAALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL27721180 0.78 MAOB (0.51) KMT2ARAB9ANPC1L3MBTL1TDP1
SCHEMBL8674523 0.77 RARA (0.56) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL9141239 0.76 RAB9A (0.79) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5046586 0.76 PDE5A (0.47) MEN1KMT2ALMNAALDH1A1RAB9A

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 MAPT 2248/4885MEN1 3906/4885KMT2A 3273/4885

“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.