SCHEMBL4382035

SCHEMBL4382035

COC(=O)Cc1cc(O)cc(O)c1-c1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
VDR P11473 1/20 0.43
RXRA P19793 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ESR2 Q92731 1/20 0.43
ACLY P53396 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
EGFR P00533 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL4386730 0.87 THRA (0.40) THRATHRBEGFRSMN1; SMN2
SCHEMBL4381689 0.85 MEN1 (0.45) ESR2EGFRHSP90AB1KDM4EALDH1A1
SCHEMBL4388539 0.85 HSP90AB1 (0.46) THRBACLYPDE4APDE4BPDE4C
SCHEMBL4390501 0.84 CNR2 (0.48) EGFRHSP90AB1KDM4EALDH1A1HPGD
SCHEMBL4384676 0.84 CFD (0.42) EGFRHSP90AB1ALDH1A1HPGDERN1
SCHEMBL4386486 0.83 ACLY (0.47) ESR1THRBESR2ACLYPDE4A
SCHEMBL4389848 0.82 VEGFA (0.47) EGFRHSP90AB1ALDH1A1ERN1DYRK1A
SCHEMBL6025217 0.82 CCNC (0.45) ESR1ESR2ACLYEGFRHSP90AB1
SCHEMBL4388872 0.81 CNR2 (0.49) EGFRHSP90AB1CLK4
SCHEMBL4387490 0.81 CFD (0.40) EGFRHSP90AB1KDM4EALDH1A1HPGD

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.