SCHEMBL19083817

SCHEMBL19083817

COc1cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.51
PDE4D Q08499 11/20 0.51
PDE4A P27815 10/20 0.51
PDE4C Q08493 10/20 0.51
POLB P06746 1/20 0.48
MAPK14 Q16539 1/20 0.46

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
SCHEMBL19075710 0.86 POLB (0.53) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL19075725 0.79 MAPT (0.55) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL20697636 0.77 POLB (0.45) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL19083824 0.77 POLB (0.49) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL23914115 0.76 ALDH1A1 (0.43)
SCHEMBL19075737 0.75 POLB (0.69) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL7384113 0.74 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL6799815 0.74 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL19083826 0.74 POLB (0.67) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL6865615 0.74 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 PDE4B 452/4885PDE4D 461/4885PDE4A 449/4885

“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.