SCHEMBL4218352

SCHEMBL4218352

COc1cc(Br)ccc1OC1CN(C(=O)OC(C)(C)C)CC1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.48
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
USP30 Q70CQ3 2/20 0.44
PIK3CD O00329 3/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
STS P08842 1/20 0.39
CFTR P13569 1/20 0.39
RORC P51449 2/20 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
SCHEMBL4229272 1.00 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL2575862 0.86 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL4199136 0.85 ALDH1A1 (0.41)
SCHEMBL2276593 0.81 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL16286535 0.79 NAMPT (0.41) PDE4BUSP30PIK3CDRORC
SCHEMBL21761042 0.78 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DUSP30
SCHEMBL30271952 0.78 PDE4B (0.47) PDE4BUSP30STSRORC
SCHEMBL16296027 0.78 PIN1 (0.42) PDE4BUSP30PIK3CDRORC
SCHEMBL4193344 0.77 KDM4E (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL4225725 0.77 KDM4E (0.39) PDE4BPDE4APDE4CPDE4D

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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 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 (2 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PDE4B 1799/4885PDE4A 1644/4885PDE4C 2287/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PDE4B 1851/4885PDE4A 1636/4885PDE4C 2295/4885

“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.