SCHEMBL4562584

SCHEMBL4562584

CCc1c(CC2O[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)O2)cc(OCc2ccccc2)c(I)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
LIPE Q05469 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC5A2 P31639 2/20 0.32
SLC5A1 P13866 1/20 0.31
TSHR P16473 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
BRD4 O60885 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
SCHEMBL4380461 0.84 MAPK14 (0.36) MAPK14LIPEGAAMAPTMAPK1
SCHEMBL4387033 0.84 MAPK14 (0.36) MAPK14LIPEGAAMAPTMAPK1
SCHEMBL4386754 0.81 PIN1 (0.37) MAPK14GAAMAPTMAPK1TDP1
SCHEMBL4379859 0.81 PIN1 (0.37) MAPK14GAAMAPTMAPK1TDP1
SCHEMBL4389290 0.76 MAPK14 (0.39) MAPK14LIPEMAPTMAPK1TDP1
SCHEMBL4384340 0.76 MAPK14 (0.39) MAPK14LIPEMAPTMAPK1TDP1
SCHEMBL4388100 0.75 GSK3B (0.34) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL4381387 0.74 MAPK14 (0.35) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL4384038 0.74 MAPK14 (0.35) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL4385084 0.74 MAPK14 (0.35) MAPK14MAPTMAPK1TDP1L3MBTL1

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 MAPK14 1693/4885LIPE 3516/4885GAA 3950/4885

“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.