SCHEMBL4434341

SCHEMBL4434341

CCc1cc(O)ccc1OCOC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.48
MAOB P27338 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B3 P37058 2/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6036124 0.86 BACE1 (0.48) BACE1MAOBHSD17B1
SCHEMBL13567696 0.83 MAPT (0.47) KDM4EL3MBTL1
SCHEMBL178369 0.81 MAOB (0.52) BACE1MAOBEGFRKDM4EL3MBTL1
SCHEMBL12356976 0.80 AKT1 (0.40) KDM4EL3MBTL1
SCHEMBL5569933 0.79 PTGDR2 (0.45) KDM4E
SCHEMBL5882722 0.79 L3MBTL1 (0.36) BACE1EGFRKDM4EL3MBTL1
SCHEMBL12587297 0.78 BACE1 (0.43) BACE1MAOB
SCHEMBL6099115 0.78 MAOB (0.53) BACE1MAOBKDM4E
SCHEMBL4655073 0.77 ELANE (0.56) ELANECTSGL3MBTL1
SCHEMBL685759 0.77 ALDH1A1 (0.38) EGFRL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO disclosed
EP-1947103-A1 Aryloxypropanolamines, methods of preparation thereof and use of aryloxypropanolamines as medicaments 4SC AG (DE) 2008-07-23 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-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS ADRB3, ADRB1, ADRB2 BACE1 864/4885MAOB 448/4885ELANE 3865/4885

“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.