SCHEMBL4538650

SCHEMBL4538650

CC(C)NCC(O)c1cc(Br)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.54
ADRB1 P08588 8/20 0.54
ADRB3 P13945 7/20 0.54
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
ADRA1A P35348 2/20 0.45
MAPT P10636 2/20 0.41
MTOR P42345 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Broxaterol SCHEMBL82745 0.79 ADRB2 (0.46) ADRB2ADRB1ADRB3TSHRHIF1A
Broxaterol SCHEMBL8845005 0.78 ADRB2 (0.45) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL8879834 0.77 ADRB2 (0.44) ADRB2ADRB1ADRB3LMNA
SCHEMBL8129014 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6074317 0.76 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL10341872 0.74 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL6074550 0.73 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL10614918 0.68 ADRB2 (0.65) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL8557911 0.68
Hydrochloric Acid SCHEMBL10614914 0.67 ADRB2 (0.62) ADRB2ADRB1ADRB3TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2009-06-04 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 (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-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 2/4885

“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.