SCHEMBL21768004

SCHEMBL21768004

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
PTAFR P25105 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDE4A P27815 5/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30477925 1.00 NR3C1 (0.41) NR3C1PTAFRALDH1A1PDE4APDE4B
SCHEMBL21767999 0.75 PDE4B (0.42) NR3C1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL21767998 0.75 PDE4B (0.42) NR3C1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL28348174 0.73 PDE4B (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL21768003 0.73 PDE4B (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL21768005 0.73 PDE4B (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL16982124 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21780878 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL31238162 0.71 ALDH1A1 (0.42) ALDH1A1
SCHEMBL28238744 0.70 CYP1A1 (0.43) NR3C1PDE4APDE4BPDE4CPDE4D

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 4 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
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 NR3C1 1219/4885PTAFR 787/4885ALDH1A1 4153/4885
US-11389411-B2 Pharmaceutical composition, containing NM23 activator, for inhibiting cancer metastasis NME1, NTPCR, NME2 NR3C1 1219/4885PTAFR 787/4885ALDH1A1 4153/4885

“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.