SCHEMBL4391973

SCHEMBL4391973

CCc1c(O)cc(O)c(-c2ccccc2)c1CCCOCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GCGR P47871 3/20 0.37
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
RECQL P46063 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP7 Q93009 2/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AHR P35869 2/20 0.31
MAPT P10636 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
SCHEMBL4386674 0.92 ESR1 (0.39) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4377963 0.90 CNR2 (0.39) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4377955 0.89 CNR2 (0.38) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4386943 0.86 ESR1 (0.42) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4382891 0.85 USP2 (0.40) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4383767 0.84 ESR1 (0.35) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4381573 0.84 CNR2 (0.37) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4379851 0.84 CNR2 (0.38) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4387388 0.83 ESR1 (0.44) CNR2ESR1ESR2GCGRPDE4B
SCHEMBL4387022 0.83 CNR2 (0.44) CNR2ESR1ESR2GCGRRECQL

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 CNR2 1898/4885ESR1 610/4885ESR2 1033/4885

“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.