SCHEMBL4381472

SCHEMBL4381472

CCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CC1O[C@@H](CO)[C@H](CO)O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ACLY P53396 1/20 0.36
GCGR P47871 1/20 0.36
TYR P14679 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC5A2 P31639 1/20 0.33
LGALS9 O00182 1/20 0.33
LGALS8 O00214 1/20 0.33
LGALS1 P09382 1/20 0.33
LGALS3 P17931 1/20 0.33
LGALS7; LGALS7B P47929 1/20 0.33

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
SCHEMBL4386407 1.00 HDAC4 (0.37) HDAC4HDAC8ACLYGCGRTYR
SCHEMBL4379884 0.86 ESR1 (0.43) GCGRTYRSLC5A2LGALS1LGALS3
SCHEMBL4392394 0.86 ESR1 (0.43) GCGRTYRSLC5A2LGALS1LGALS3
SCHEMBL4384949 0.85 SLC5A2 (0.41) ACLYTYRALDH1A1CNR1CNR2
SCHEMBL4383993 0.85 SLC5A2 (0.41) ACLYTYRALDH1A1CNR1CNR2
SCHEMBL6025149 0.85 ESR1 (0.37) GCGRCNR2SLC5A2
SCHEMBL4386494 0.85 ESR1 (0.37) GCGRCNR2SLC5A2
SCHEMBL4379299 0.85 ESR1 (0.37) GCGRCNR2SLC5A2
SCHEMBL4386784 0.84 GCGR (0.34) GCGRTYRSLC5A2LGALS8LGALS1
SCHEMBL4389494 0.84 GCGR (0.34) GCGRTYRSLC5A2LGALS8LGALS1

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 HDAC4 985/4885HDAC8 94/4885ACLY 2383/4885

“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.