SCHEMBL4450046

SCHEMBL4450046

OCc1cc(C(O)CNCCCCCOCCCCc2ccccc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 1.00
ADRB1 P08588 18/20 1.00
ADRB3 P13945 17/20 1.00
KDM4E B2RXH2 2/20 1.00
MEN1 O00255 2/20 1.00
TP53 P04637 2/20 1.00
CYP3A4 P08684 2/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 1.00
HTR1A P08908 1/20 1.00
CHRM5 P08912 1/20 1.00
DRD2 P14416 1/20 1.00
ADRA2B P18089 1/20 1.00
DRD4 P21917 1/20 1.00
SLC6A2 P23975 1/20 1.00
FPR3 P25089 1/20 1.00
ADRA1D P25100 1/20 1.00
HTR1D P28221 1/20 1.00
HTR1B P28222 1/20 1.00
HTR2A P28223 1/20 1.00

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
Salmeterol SCHEMBL29393289 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4767 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4768 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4452108 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29397921 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL7176067 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL28889602 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29266779 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL6152211 0.98 ADRB2 (0.96) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL4454918 0.98 ADRB2 (0.96) ADRB2ADRB1ADRB3KDM4EMEN1

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
US-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2009-11-19 US disclosed
EP-1651168-A4 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-01 EP disclosed
EP-1651168-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Epigenesis Pharmaceuticals LLC (US) 2006-05-03 EP disclosed
US-20050113318-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACUETICALS, LLC 2005-05-26 US disclosed
WO-2005011603-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-20050026884-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-03 US 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 (3 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-20050113318-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease HSD3B2, ADRB2, HSD11B2 ADRB2 2/4885ADRB1 13/4885ADRB3 14/4885
US-20050026884-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease HSD3B2, HSD3B1, ADRB2 ADRB2 3/4885ADRB1 10/4885ADRB3 14/4885
US-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD3B2, ADRB2, HSD11B2 ADRB2 2/4885ADRB1 13/4885ADRB3 14/4885

“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.