SCHEMBL5065739

SCHEMBL5065739

CC(C)(C)N(CC(O)c1cccc(O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.50
HIF1A Q16665 4/20 0.48
ADRB1 P08588 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRB3 P13945 1/20 0.48
TSHR P16473 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
NFKB1 P19838 1/20 0.48
DRD1 P21728 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
RAB9A P51151 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL5069157 0.85 AOC3 (0.51) RAB9ASLC6A3LMNAKDM4EMEN1
SCHEMBL5069152 0.85 AOC3 (0.51) RAB9ASLC6A3LMNAKDM4EMEN1
SCHEMBL1527256 0.85 AOC3 (0.51) RAB9ASLC6A3LMNAKDM4EMEN1
SCHEMBL168175 0.82 PNMT (0.54) GAAMEN1KMT2A
SCHEMBL8647625 0.82 TAAR1 (0.42) HIF1AHTR1ATSHRNFKB1KDM4E
SCHEMBL28473074 0.82 TAAR1 (0.42) HIF1AHTR1ATSHRNFKB1KDM4E
SCHEMBL5962486 0.79 HIF1A (0.53) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL21834849 0.78 MEN1 (0.61) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL5067934 0.77 AOC3 (0.44) LMNAKDM4EAOC3
SCHEMBL5065117 0.76 SMN1; SMN2 (0.44) ADRB1ADRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820021-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK Chemicals Co., Ltd. (KR) 2015-01-07 EP disclosed
WO-2013129879-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-09-06 WO disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 KYNU 1654/4885HIF1A 3343/4885ADRB1 4693/4885

“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.