SCHEMBL4386784

SCHEMBL4386784

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
LGALS3 P17931 6/20 0.33
LGALS1 P09382 3/20 0.33
LGALS8 O00214 1/20 0.33
SLC5A2 P31639 5/20 0.33
ESR2 Q92731 2/20 0.32
TYR P14679 1/20 0.32
ESR1 P03372 1/20 0.32
MGLL Q99685 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
SCHEMBL4389494 1.00 GCGR (0.34) GCGRLGALS3LGALS1LGALS8SLC5A2
SCHEMBL4379884 0.88 ESR1 (0.43) GCGRLGALS3LGALS1SLC5A2ESR2
SCHEMBL4392394 0.88 ESR1 (0.43) GCGRLGALS3LGALS1SLC5A2ESR2
SCHEMBL4384949 0.87 SLC5A2 (0.41) SLC5A2ESR2TYRESR1
SCHEMBL4383993 0.87 SLC5A2 (0.41) SLC5A2ESR2TYRESR1
SCHEMBL4379299 0.87 ESR1 (0.37) GCGRSLC5A2ESR2ESR1
SCHEMBL4386494 0.87 ESR1 (0.37) GCGRSLC5A2ESR2ESR1
SCHEMBL6025149 0.87 ESR1 (0.37) GCGRSLC5A2ESR2ESR1
SCHEMBL4386407 0.84 HDAC4 (0.37) GCGRLGALS3LGALS1LGALS8SLC5A2
SCHEMBL4381472 0.84 HDAC4 (0.37) GCGRLGALS3LGALS1LGALS8SLC5A2

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 GCGR 263/4885LGALS3 4749/4885LGALS1 4527/4885

“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.