SCHEMBL6099115

SCHEMBL6099115

COCOc1ccc(O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
BACE1 P56817 2/20 0.47
CALM1 P0DP23 2/20 0.46
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
APP P05067 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A1 P04798 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRSS1 P07477 1/20 0.40

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
SCHEMBL13736583 0.82 CALM1 (0.64) MAOBCALM1MAPTTSHRKDM4E
SCHEMBL30514387 0.81 MAOB (0.70) MAOBCHRNB4CHRNA3ESR1ESR2
SCHEMBL119396 0.81 MAOB (0.70) MAOBCHRNB4CHRNA3ESR1ESR2
SCHEMBL6036396 0.81 BACE1 (0.47) MAOBBACE1APPESR1ESR2
SCHEMBL12587297 0.81 BACE1 (0.43) MAOBBACE1ESR1ESR2MAPT
SCHEMBL10921912 0.79 KDM4E (0.54) MAOBCALM1CHRNB4CHRNA3KDM4E
SCHEMBL3721034 0.79 HSD17B10 (0.43) MAOBBACE1MAPTCYP3A4TSHR
SCHEMBL6097944 0.79 BACE1 (0.43) MAOBBACE1MAPTCYP3A4KDM4E
SCHEMBL31464131 0.79 BACE1 (0.43) MAOBBACE1ESR1ESR2MEN1
SCHEMBL27140275 0.79 BACE1 (0.43) MAOBBACE1ESR1ESR2MEN1

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-7022732-B2 6-substituted 2,3-dihydro-1,4-benzodioxine, 2-position substituted with carboxy, or (C1 C6)alkoxycarbonyl; diabetes, obesity; 6-[2-(R)-[2-(S)-hydroxy-3-(4-hydroxy-3-methanesulfonamido-phenoxy)propylamino]propyl]-2,3-dihydro-1,4-benzodioxine-2-(R)-carboxylic acid; B3 andrenergic receptor agonist NISSHIN PHARMA INC. (JP) 2006-04-04 US disclosed
US-20040235921-A1 Propanolamine derivative having 1, 4-Benzodioxane ring KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1426370-A1 PROPANOLAMINE DERIVATIVE HAVING 1,4 BENZODIOXANE RING Nisshin Pharma Inc. (JP) 2004-06-09 EP disclosed
US-5849732-A Phenol compound having antioxidative activity and the process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-12-15 US disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP 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-20040235921-A1 Propanolamine derivative having 1, 4-Benzodioxane ring ADRA1D, ADRA1A, ADRB1 MAOB 1092/4885BACE1 2566/4885CALM1 2338/4885

“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.