SCHEMBL7942829

SCHEMBL7942829

CC(C)(C)OC(=O)N[C@H]1CCc2ccc(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PAX8 Q06710 1/20 0.44
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ACHE P22303 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ESR2 Q92731 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
ANO1 Q5XXA6 1/20 0.40
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
EPHX2 P34913 1/20 0.39
ESR1 P03372 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL3300984 1.00 MAOA (0.50) MAOAMAOBPAX8NQO2MTNR1A
SCHEMBL1372805 1.00 MAOA (0.50) MAOAMAOBPAX8NQO2MTNR1A
SCHEMBL2804784 0.92 TRPV1 (0.50) MAOAMAOBESR2TRPV1TAS1R3
SCHEMBL3304298 0.90 CA1 (0.44) PAX8ACHECA1CA2ESR2
SCHEMBL17040762 0.87 TRPV1 (0.46) ACHECA1CA2TRPV1GAA
SCHEMBL485350 0.86 BACE1 (0.43) ACHEGAAEPHX2NFKB1NFKB2
SCHEMBL4872166 0.86 NR1H2 (0.43) MAOBACHECA1CA2GAA
SCHEMBL485349 0.86 BACE1 (0.43) ACHEGAAEPHX2NFKB1NFKB2
SCHEMBL484634 0.85 PDE4A (0.45) ACHEGAATAS1R3TAS1R1NFKB1
SCHEMBL784858 0.85 PDE4A (0.45) ACHEGAATAS1R3TAS1R1NFKB1

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
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MAOA 1329/4885MAOB 1020/4885PAX8 4157/4885

“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.