SCHEMBL4389876

SCHEMBL4389876

COCCc1c(-c2ccccc2)c(O)cc(O)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.39
PDE4A P27815 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
AHR P35869 1/20 0.39
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ABCB1 P08183 1/20 0.35
GCGR P47871 2/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4383086 0.83 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4387542 0.81 ESR1 (0.41) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4389441 0.81 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4381978 0.81 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4386712 0.80 FFAR1 (0.42) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4386879 0.80 CNR2 (0.42) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4382744 0.79 CNR2 (0.41) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4381426 0.78 CNR2 (0.40) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL4392291 0.78 HK2 (0.42) PDE4BPDE4APDE4CPDE4DCNR2
SCHEMBL2864985 0.77 CNR2 (0.43) PDE4BPDE4APDE4CPDE4DCNR2

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 PDE4B 4266/4885PDE4A 4374/4885PDE4C 4564/4885

“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.