SCHEMBL4098612

SCHEMBL4098612

COc1cc(Cl)cc2c1Oc1ccccc1CC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 3/20 0.35
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
MIF P14174 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7108704 0.77 MAOA (0.46) HPGDMAPTKDM4EHSD17B10CASP1
SCHEMBL7110728 0.76 PTGS2 (0.43) HPGDMAPTKDM4EHSD17B10CASP1
SCHEMBL7115393 0.75 MAOB (0.40) HPGDL3MBTL1MAPTKDM4EHSD17B10
SCHEMBL7115666 0.74 GAA (0.44) L3MBTL1MAPTKDM4EMAOBMAOA
SCHEMBL2375779 0.74 HPGD (0.52) HPGDL3MBTL1MAPTKDM4EMAOB
SCHEMBL8098734 0.72 KMT2A (0.39) HPGDMAPTKDM4EHSD17B10CASP1
SCHEMBL7115046 0.71 ABCG2 (0.52) HPGDKDM4EHSD17B10MAOBMAOA
SCHEMBL4098698 0.71 STK17B (0.38) MAPTKDM4EMAOBMAOAALDH1A1
SCHEMBL11775968 0.70 MEN1 (0.37) HPGDMAPTKDM4EHSD17B10CASP1
SCHEMBL7115413 0.69 CYP19A1 (0.39) MAPTKDM4EHSD17B10ALDH1A1MEN1

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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2009-09-03 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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders MAOB, MAOA, TPH1 HPGD 1204/4885L3MBTL1 4792/4885MAPT 102/4885

“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.