SCHEMBL6098832

SCHEMBL6098832

ClC(Oc1ccccc1)[C@@H]1CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
TSHR P16473 3/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
LTA4H P09960 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6098824 1.00 TDP1 (0.41) TDP1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL10829460 1.00 TDP1 (0.41) TDP1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL4243856 0.76 CHRNB4 (0.49) TDP1TSHRCHRNB4CHRNA3
SCHEMBL726736 0.76 TDP1 (0.41) TDP1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL13744161 0.74 SLC6A2 (0.45) TDP1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10969259 0.74 SLC6A2 (0.45) TDP1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13743615 0.74 SLC6A2 (0.45) TDP1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9587807 0.73 TDP1 (0.39) TDP1TSHRCHRNB4CHRNA3
SCHEMBL10600797 0.72 CYP1A2 (0.39) TDP1ALDH1A1
SCHEMBL671115 0.72 TDP1 (0.38) TDP1TSHRCHRNB4CHRNA3

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 TDP1 2659/4885SLC6A2 794/4885SLC6A4 338/4885

“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.