SCHEMBL21758090

SCHEMBL21758090

c1ccc(Oc2ccc3c(c2)CC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
LTA4H P09960 3/20 0.52
TSHR P16473 1/20 0.52
MAPK14 Q16539 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MAOB P27338 2/20 0.47
MAOA P21397 2/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
CARM1 Q86X55 1/20 0.45
PGR P06401 1/20 0.44
GSTP1 P09211 1/20 0.44
SOS1 Q07889 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL12472400 0.92 HRH3 (0.62) HRH3LTA4HTSHRMAPK14PDE4A
SCHEMBL30299250 0.92 HRH3 (0.62) HRH3LTA4HTSHRMAPK14PDE4A
SCHEMBL21758061 0.92 HRH3 (0.62) HRH3LTA4HTSHRMAPK14PDE4A
SCHEMBL4923376 0.87 HRH3 (0.54) HRH3LTA4HTSHRDRD1
SCHEMBL21655423 0.81 PDE4A (0.50) HRH3PDE4APDE4BPDE4CPDE4D
SCHEMBL8896838 0.81 MAOB (0.50) HRH3LTA4HTSHRPDE4APDE4B
SCHEMBL29260694 0.80 PNMT (0.53) HRH3LTA4HMAOB
SCHEMBL27415227 0.79 STS (0.53) HRH3TSHRDRD1DRD5CA1
SCHEMBL31312960 0.79 STS (0.59) HRH3TSHRMAPK14DRD1DRD5
SCHEMBL27455247 0.78 LTA4H (0.46) HRH3LTA4HTSHRPDE4APDE4B

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-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 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-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 RTN4, RTN3, RCN1 HRH3 2558/4885LTA4H 848/4885TSHR 4237/4885

“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.