SCHEMBL5376680

SCHEMBL5376680

CC1(C)OCc2cc(C(O)CNC(CO)c3ccccc3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.39
ADRB2 P07550 5/20 0.38
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRB1 P08588 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4805990 1.00 ADRB3 (0.39) ADRB3ADRB2CYP1A2ALDH1A1CYP2C9
SCHEMBL17660490 0.87 KMT2A (0.39) ADRB3ADRB2CYP1A2ALDH1A1CYP2C9
SCHEMBL5391885 0.85 ADRB3 (0.45) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL5401549 0.83 ADRB2 (0.39) ADRB3ADRB2CYP1A2ALDH1A1CYP2C19
SCHEMBL25708294 0.81 ADRB3 (0.47) ADRB3ADRB2ADRA1DMEN1KMT2A
SCHEMBL4801268 0.81 ADRB3 (0.47) ADRB3ADRB2ADRA1DMEN1KMT2A
SCHEMBL5384330 0.80 ADRB2 (0.37) ADRB3ADRB2CYP1A2ALDH1A1CYP2C19
SCHEMBL5385110 0.79 ROCK2 (0.38) ALDH1A1
SCHEMBL5381523 0.79 ROCK2 (0.38) ALDH1A1
SCHEMBL2831936 0.79 ADRB2 (0.41) ADRB3ADRB2CYP1A2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294725-B1 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-7294725-B1 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-7294725-B1 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-6911560-B2 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2005-06-28 US disclosed
US-20030162840-A1 Novel process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION 2003-08-28 US disclosed
EP-1289926-A2 A NOVEL PROCESS FOR PREPARING SALMETEROL GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096278-A2 A NOVEL PROCESS FOR PREPARING SALMETEROL GLAXO GROUP LIMITED (GB) 2001-12-20 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-20030162840-A1 Novel process for preparing salmeterol HSD11B1, HSD3B1, HSD11B2 ADRB3 59/4885ADRB2 37/4885CYP1A2 158/4885

“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.