SCHEMBL4384657

SCHEMBL4384657

COC(=O)Cc1cc(O)cc(O)c1-c1ccc(CN2CCOCC2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALK Q9UM73 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HSP90AA1 P07900 3/20 0.38
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
HSP90AB1 P08238 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PRKD3 O94806 1/20 0.37
HPGD P15428 1/20 0.37
PRKD1 Q15139 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL4384965 0.90 ALDH1A1 (0.43) ALDH1A1NPSR1ALKHSP90AA1HSP90AB1
SCHEMBL4386133 0.85 LMNA (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4385587 0.82 NPSR1 (0.37) HTTALDH1A1NPSR1KMT2AMEN1
SCHEMBL4395260 0.81 ALDH1A1 (0.41) ALDH1A1HSP90AB1KMT2AMEN1HPGD
SCHEMBL4388212 0.80 ALDH1A1 (0.40) ALDH1A1NPSR1HSP90AB1KMT2AMEN1
SCHEMBL4383921 0.79 ALDH1A1 (0.42) HTTALDH1A1HSP90AB1KMT2AMEN1
SCHEMBL4386867 0.79 HTT (0.39) HTTALDH1A1NPSR1HCRTR1HCRTR2
SCHEMBL4389553 0.78 EGFR (0.40) ALDH1A1HSP90AB1KMT2AMEN1HPGD
SCHEMBL4389601 0.78 ALDH1A1 (0.38) HTTALDH1A1HSP90AB1KMT2AMEN1
SCHEMBL4392305 0.77 KDM4E (0.40) ALDH1A1HRH3HSP90AA1HSP90AB1KMT2A

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P HTT 538/4885ALDH1A1 3520/4885NPSR1 331/4885

“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.