SCHEMBL6099486

SCHEMBL6099486

COCOc1ccc(OCC2CO2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL6098978 1.00 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6099804 0.94 ALDH1A1 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6099784 0.94 ALDH1A1 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL9803136 0.88 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL11592021 0.87 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6099670 0.83 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6099676 0.83 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL11590720 0.83 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3290219 0.82 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3290216 0.82 ALDH1A1 (0.43) ALDH1A1TP53TSHRHIF1ACYP3A4

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 ALDH1A1 48/4885TP53 4844/4885TSHR 1298/4885

“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.