SCHEMBL8280495

SCHEMBL8280495

CNCC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.70
ADRB1 P08588 3/20 0.70
CYP1A2 P05177 3/20 0.70
TSHR P16473 3/20 0.70
HIF1A Q16665 3/20 0.70
CYP2D6 P10635 2/20 0.70
NFKB1 P19838 2/20 0.70
TDP1 Q9NUW8 5/20 0.70
KDM4E B2RXH2 4/20 0.70
MAPT P10636 3/20 0.70
HSD17B10 Q99714 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ADRA2A P08913 2/20 0.70
ADRB3 P13945 2/20 0.70
ADRA2B P18089 2/20 0.70
ADRA2C P18825 2/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP3A4 P08684 1/20 0.70
ADORA3 P0DMS8 1/20 0.70

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
SCHEMBL20285625 1.00 ADRB2 (0.70) ADRB2ADRB1CYP1A2TSHRHIF1A
SCHEMBL10232110 1.00 ADRB2 (0.70) ADRB2ADRB1CYP1A2TSHRHIF1A
Albuterol SCHEMBL603953 0.87 ADRB2 (0.82) ADRB2ADRB1CYP1A2TSHRHIF1A
SCHEMBL15677514 0.84 ADRB2 (0.73) ADRB2ADRB1CYP1A2TSHRHIF1A
SCHEMBL14214569 0.84 ADRB2 (0.60) ADRB2ADRB1CYP1A2TSHRHIF1A
SCHEMBL22607349 0.83 ADRB2 (0.68) ADRB2ADRB1CYP1A2TSHRHIF1A
Albuterol SCHEMBL122805 0.83 ADRB2 (1.00) ADRB2ADRB1CYP1A2TSHRHIF1A
SCHEMBL4122824 0.83 ADRB2 (0.71) ADRB2ADRB1CYP1A2TSHRHIF1A
Albuterol SCHEMBL121596 0.83 ADRB2 (1.00) ADRB2ADRB1CYP1A2TSHRHIF1A
Levosalbutamol SCHEMBL4003 0.83 ADRB2 (1.00) ADRB2ADRB1CYP1A2TSHRHIF1A

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
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
EP-1836215-B1 ANDROSTANE 17-ALPHA-CARBONATE FOR USE IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC CONDITIONS GLAXO GROUP LTD (GB) 2008-08-20 EP disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
WO-2005090348-A1 PYRAZOLO ’3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO 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-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885CYP1A2 601/4885

“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.