SCHEMBL21768005

SCHEMBL21768005

COC(=O)[C@@H]1CCC=C[C@@H]1c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSK P43235 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28348174 1.00 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL21768003 1.00 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL8096846 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL7828978 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL8096843 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL21767998 0.76 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL21767999 0.76 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL21768004 0.73 NR3C1 (0.41) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL30477925 0.73 NR3C1 (0.41) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL21780949 0.71 MAPT (0.47) TP53SMN1; SMN2GAAALDH1A1RAB9A

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-11389411-B2 Pharmaceutical composition, containing NM23 activator, for inhibiting cancer metastasis EWHA University—Industry Collaboration Foundation (KR) 2022-07-19 US disclosed
US-20200078319-A1 PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2020-03-12 US disclosed
EP-3616692-A1 PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS Ewha University-Industry Collaboration Foundation (KR) 2020-03-04 EP 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-20200078319-A1 PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS NME1, NTPCR, NME2 PDE4B 1938/4885PDE4A 1705/4885PDE4C 1862/4885
US-11389411-B2 Pharmaceutical composition, containing NM23 activator, for inhibiting cancer metastasis NME1, NTPCR, NME2 PDE4B 1938/4885PDE4A 1705/4885PDE4C 1862/4885

“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.