SCHEMBL4382337

SCHEMBL4382337

CCc1c(OCc2ccccc2)cc(CC2O[C@H](COC)[C@@H](COC)O2)c(Br)c1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CCR5 P51681 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
RAB9A P51151 1/20 0.32
ABCB1 P08183 1/20 0.32
MAOB P27338 2/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL4380201 0.82 PIN1 (0.36) MAPK14RAB9AABCB1MAOB
SCHEMBL4384172 0.73 ESR1 (0.35) MAOB
SCHEMBL4562584 0.71 MAPK14 (0.34) MAPK14GAAMAPT
SCHEMBL4389290 0.70 MAPK14 (0.39) MAPK14ALDH1A1CCR5RAB9AMAOB
SCHEMBL4384340 0.70 MAPK14 (0.39) MAPK14ALDH1A1CCR5RAB9AMAOB
SCHEMBL4379859 0.67 PIN1 (0.37) MEN1KMT2AMAPK14ABCB1MAOB
SCHEMBL4386754 0.67 PIN1 (0.37) MEN1KMT2AMAPK14ABCB1MAOB
SCHEMBL4380461 0.65 MAPK14 (0.36) MAPK14SMN1; SMN2HTTGAAMAPT
SCHEMBL4387033 0.65 MAPK14 (0.36) MAPK14SMN1; SMN2HTTGAAMAPT
SCHEMBL4381854 0.64 CDK5 (0.36) MAPK14ALDH1A1SMN1; SMN2KDM4EHPGD

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 MEN1 4784/4885KMT2A 3994/4885MAPK14 1693/4885

“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.