SCHEMBL4384949

SCHEMBL4384949

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.41
CNR2 P34972 6/20 0.39
CNR1 P21554 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
ACLY P53396 1/20 0.34
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
EPHX2 P34913 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TYR P14679 1/20 0.30

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
SCHEMBL4383993 1.00 SLC5A2 (0.41) SLC5A2CNR2CNR1L3MBTL1ACLY
SCHEMBL4392394 0.89 ESR1 (0.43) SLC5A2ESR1ESR2TYR
SCHEMBL4379884 0.89 ESR1 (0.43) SLC5A2ESR1ESR2TYR
SCHEMBL4384005 0.88 CNR2 (0.35) CNR2CNR1EPHX2
SCHEMBL4386494 0.88 ESR1 (0.37) SLC5A2CNR2ESR1ESR2
SCHEMBL4379299 0.88 ESR1 (0.37) SLC5A2CNR2ESR1ESR2
SCHEMBL6025149 0.88 ESR1 (0.37) SLC5A2CNR2ESR1ESR2
SCHEMBL4389494 0.87 GCGR (0.34) SLC5A2ESR1ESR2TYR
SCHEMBL4386784 0.87 GCGR (0.34) SLC5A2ESR1ESR2TYR
SCHEMBL4381472 0.85 HDAC4 (0.37) SLC5A2CNR2CNR1ACLYALDH1A1

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 SLC5A2 3703/4885CNR2 1898/4885CNR1 614/4885

“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.