SCHEMBL6098778

SCHEMBL6098778

CCOC(=O)[C@H]1COc2cc(CC[N+](=O)[O-])ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
AIMP2 Q13155 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 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
SCHEMBL6098781 1.00 CYP4F2 (0.47) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL9255724 0.83 CYP4F2 (0.54) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL11643306 0.81 CHRNB4 (0.48) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL7483826 0.80 CYP4F2 (0.51) CYP4F2CYP4A11L3MBTL1GAALMNA
Hydrochloric Acid SCHEMBL3610242 0.80 CYP4F2 (0.51) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL7483813 0.80 CYP4F2 (0.51) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL7490164 0.80 CYP4F2 (0.51) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL1519333 0.78 CYP4F2 (0.50) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL6099549 0.77 NPC1 (0.52) CYP4F2CYP4A11L3MBTL1GAALMNA
SCHEMBL6099544 0.77 NPC1 (0.52) CYP4F2CYP4A11L3MBTL1GAALMNA

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 CYP4F2 1929/4885CYP4A11 238/4885L3MBTL1 437/4885

“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.