SCHEMBL4010929

SCHEMBL4010929

CC(C)(C)N(Cc1ccc(CNC(=O)NCc2cccc(Oc3ccccc3)c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
FFAR1 O14842 7/20 0.47
MAPK14 Q16539 1/20 0.47
GNA15 P30679 1/20 0.46
PTGER3 P43115 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5681744 0.82 PTPN1 (0.56) ALDH1A1SMN1; SMN2HTTKDM4EFFAR1
SCHEMBL4019172 0.81 MAPK14 (0.67) SMN1; SMN2HTTMAPK14MEN1KMT2A
SCHEMBL4613350 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HTTKDM4EFFAR1
SCHEMBL14309140 0.80 CYP1A2 (0.56) ALDH1A1SMN1; SMN2HTTKDM4EFFAR1
SCHEMBL5201809 0.80 FFAR1 (0.49) PTGESFFAR1GNA15PTGER3FFAR4
Hydrochloric Acid SCHEMBL4015668 0.79 CYP1A2 (0.55) ALDH1A1SMN1; SMN2HTTKDM4EFFAR1
SCHEMBL5205144 0.76 CACNA1B (0.44) PTGESHTTFFAR1GNA15PTGER3
SCHEMBL5681738 0.75 FFAR1 (0.74) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL8773482 0.74 MEN1 (0.69) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL5204934 0.73 PTGES (0.39) PTGESHTTFFAR1GNA15PTGER3

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-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 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-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C PTGES 98/4885ALDH1A1 356/4885SMN1; SMN2 3075/4885

“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.