SCHEMBL5437451

SCHEMBL5437451

COc1ccc(C2=CC(=O)N(C)C2=O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
PDE4A P27815 6/20 0.42
PDE4B Q07343 6/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP19A1 P11511 1/20 0.41
TDP2 O95551 1/20 0.40
RAD51 Q06609 1/20 0.40
BACE1 P56817 1/20 0.40
ABCB1 P08183 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL13931143 0.88 MAPT (0.40) MAPTKDM4ECYP19A1BACE1ALDH1A1
SCHEMBL10992191 0.82 L3MBTL1 (0.42) MAPTKDM4EABCB1PDE3BPDE3A
SCHEMBL4187132 0.78 GSTP1 (0.53) MAPTKDM4ECYP19A1BACE1PDE3B
SCHEMBL1471837 0.74 MAPT (0.51) MAPTKDM4ETHRBPDE4APDE4B
SCHEMBL11000171 0.73 AHR (0.43) MAPTKDM4ETHRBHSP90AA1RAD51
SCHEMBL10994041 0.72 RGS4 (0.53) MAPTKDM4EHSP90AA1BACE1ALDH1A1
SCHEMBL4187631 0.71 DAPK3 (0.39) MAPTBACE1PDE3BPDE3ALMNA
SCHEMBL13931139 0.71 PTGS2 (0.37) MAPTKDM4ECYP19A1MEN1ALDH1A1
SCHEMBL13931141 0.71 TUBB4A (0.43) MAPTABCB1MEN1ALDH1A1KMT2A
SCHEMBL6003729 0.70 SIGMAR1 (0.38) MAPTKDM4EHSP90AA1BACE1ALDH1A1

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-20070149600-A1 Substituted octahydroisoindoles BIOVITRUM AB (SE) 2007-06-28 US disclosed
US-20070149600-A1 Substituted octahydroisoindoles BIOVITRUM AB (SE) 2007-06-28 US disclosed
US-20070149600-A1 Substituted octahydroisoindoles BIOVITRUM AB (SE) 2007-06-28 US disclosed
WO-2006114402-A1 SUBSTITUTED OCTAHYDROISOINDOLES AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (PUBL) (SE) 2006-11-02 WO 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-20070149600-A1 Substituted octahydroisoindoles MCHR1, HCRTR1, NPY1R MAPT 689/4885KDM4E 3695/4885THRB 171/4885

“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.