SCHEMBL2748419

SCHEMBL2748419

CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.46
ADRB2 P07550 3/20 0.35
FAAH O00519 2/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
ABCB1 P08183 2/20 0.35
BCHE P06276 1/20 0.33
AKR1C3 P42330 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL2748442 0.94 EPHX2 (0.39) EPHX2ADRB2FAAHCNR2CNR1
SCHEMBL2748417 0.89 ADRB2 (0.45) EPHX2ADRB2ADRB3
SCHEMBL2749296 0.86 EPHX2 (0.53) EPHX2ADRB2FAAHCNR2CNR1
SCHEMBL2748977 0.85 ADRA1A (0.35) EPHX2ADRB2FAAHCNR2CNR1
SCHEMBL2795664 0.83 ABCB1 (0.37) ADRB2ABCB1BCHEADRB3
SCHEMBL2748440 0.83 ADRB2 (0.44) EPHX2ADRB2FAAHCNR2BCHE
SCHEMBL2747476 0.80 ADRB2 (0.47) EPHX2ADRB2FAAHCNR2CNR1
SCHEMBL2748567 0.80 EPHX2 (0.42) EPHX2ADRB2ADRB3
SCHEMBL2791901 0.77 SIRT2 (0.41) ABCB1BCHEADRB3
SCHEMBL2747685 0.76 ADRB2 (0.41) EPHX2ADRB2ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178679-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors ALMIRALL, S.A. (ES) 2012-05-15 US disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 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-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C EPHX2 598/4885ADRB2 1/4885FAAH 1060/4885

“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.