SCHEMBL4391753

SCHEMBL4391753

COC(=O)Cc1c(C(C)=O)c(O)cc(O)c1-c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TSHR P16473 1/20 0.42
ACLY P53396 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ABL1 P00519 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
RIN1 Q13671 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ESR1 P03372 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
VDR P11473 1/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL4394063 0.86 L3MBTL1 (0.43) ACLYMAPTKDM4EABL1POLB
SCHEMBL4380714 0.84 HDAC4 (0.44) HDAC4HDAC8TSHRACLYMAPT
SCHEMBL4384645 0.83 HDAC4 (0.43) HDAC4HDAC8ACLYMAPTKDM4E
SCHEMBL4392454 0.80 ADORA3 (0.40) TSHRKDM4EESR1THRATHRB
SCHEMBL4381325 0.80 HDAC4 (0.40) HDAC4HDAC8ACLYMAPTKDM4E
SCHEMBL4380813 0.79 TSHR (0.41) TSHRMAPTESR1THRATHRB
SCHEMBL4382035 0.77 HDAC4 (0.46) HDAC4HDAC8TSHRACLYKDM4E
SCHEMBL4385993 0.75 L3MBTL1 (0.48) TSHRACLYKDM4ETHRBSMN1; SMN2
SCHEMBL4382339 0.74 RXRA (0.43) MAPTKDM4ERECQLTHRBRXRA
SCHEMBL2860483 0.71 STS (0.45) MAPTKDM4ERECQLESR1ESR2

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 94/4885TSHR 487/4885

“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.