SCHEMBL6099544

SCHEMBL6099544

CCOC(=O)C1COc2cc(/C=C/[N+](=O)[O-])ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
VCP P55072 3/20 0.52
MTOR P42345 1/20 0.52
FBP1 P09467 6/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
S1PR4 O95977 1/20 0.42
ITGA4 P13612 1/20 0.42
S1PR1 P21453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6099549 1.00 NPC1 (0.52) NPC1RAB9AVCPMTORFBP1
SCHEMBL6100768 1.00 NPC1 (0.52) NPC1RAB9AVCPMTORFBP1
SCHEMBL11643306 0.83 CHRNB4 (0.48) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL6100693 0.83 CYP4F2 (0.46) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL6100697 0.83 CYP4F2 (0.46) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL7483507 0.83 CYP4F2 (0.46) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL7489591 0.78 CYP4F2 (0.46) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL1519333 0.77 CYP4F2 (0.50) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL6098778 0.77 CYP4F2 (0.47) POLBALDH1A1LMNAHPGDNPSR1
SCHEMBL6098781 0.77 CYP4F2 (0.47) POLBALDH1A1LMNAHPGDNPSR1

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 NPC1 268/4885RAB9A 4139/4885VCP 4091/4885

“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.