SCHEMBL6098672

SCHEMBL6098672

COc1cc(OCc2ccccc2)ccc1OC[C@@H]1CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAOB P27338 2/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD4 P21917 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL6098677 1.00 PTPN1 (0.48) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL29721135 0.87 TDP1 (0.57) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL21657603 0.87 TDP1 (0.57) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL30628474 0.87 TDP1 (0.57) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL8730031 0.87 TDP1 (0.57) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL8730039 0.87 TDP1 (0.57) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL16923006 0.86 ALDH1A1 (0.57) PTPN1ALDH1A1GLATDP1DRD4
SCHEMBL21198249 0.84 PTPN1 (0.49) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL567738 0.84 PTPN1 (0.49) PTPN1ALDH1A1MAOBGLATDP1
SCHEMBL25812948 0.83 CA12 (0.53) PTPN1ALDH1A1GLATDP1DRD4

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
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

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 PTPN1 3311/4885ALDH1A1 48/4885MAOB 1092/4885

“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.