SCHEMBL6100697

SCHEMBL6100697

CCOC(=O)C1COc2cc(C=O)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
POLB P06746 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.41
ATM Q13315 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
SCHEMBL7483507 1.00 CYP4F2 (0.46) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL6100693 1.00 CYP4F2 (0.46) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL7489591 0.95 CYP4F2 (0.46) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL7485154 0.85 MAPT (0.48) POLBNPC1RAB9AALDH1A1HSD17B10
SCHEMBL7487013 0.85 MAPT (0.48) POLBNPC1RAB9AALDH1A1HSD17B10
SCHEMBL7485148 0.85 MAPT (0.48) POLBNPC1RAB9AALDH1A1HSD17B10
SCHEMBL1519333 0.84 CYP4F2 (0.50) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL6099549 0.83 NPC1 (0.52) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL6100768 0.83 NPC1 (0.52) CYP4F2CYP4A11POLBNPC1RAB9A
SCHEMBL6099544 0.83 NPC1 (0.52) CYP4F2CYP4A11POLBNPC1RAB9A

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 6 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
EP-0825189-B1 1,4-BENZODIOXIN DERIVATIVES NISSHIN PHARMA INC (JP) 2002-01-02 EP disclosed
US-6130243-A PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA AND OBESITY IN MAMMALS NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-10-10 US disclosed
EP-0825189-A1 1,4-BENZODIOXIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-02-25 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 238/4885POLB 3043/4885

“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.