SCHEMBL4392537

SCHEMBL4392537

COCCOCCc1c(C(C)=O)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HK2 P52789 1/20 0.39
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HSP90B1 P14625 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
RIN1 Q13671 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL4392291 0.92 HK2 (0.42) HK2TP53CNR2TSHRPDE4B
SCHEMBL4382251 0.90 KDR (0.33) SMN1; SMN2KDM4EMEN1KMT2AABL1
SCHEMBL4386683 0.89 CNR2 (0.40) CNR2ALDH1A1
SCHEMBL4381325 0.88 HDAC4 (0.40) TP53SMN1; SMN2KDM4EABL1POLB
SCHEMBL4386331 0.85 HK2 (0.37) HK2CNR2HSP90B1HSP90AA1KDM4E
SCHEMBL4382744 0.83 CNR2 (0.41) HK2TP53CNR2TSHRPDE4B
SCHEMBL4386256 0.81 CYP3A4 (0.35) SMN1; SMN2KDM4EMEN1KMT2AABL1
SCHEMBL2864985 0.81 CNR2 (0.43) TP53CNR2PDE4BPDE4APDE4C
SCHEMBL4386082 0.81 HSP90B1 (0.49) HSP90B1HSP90AA1LMNA
SCHEMBL4390008 0.81 CNR2 (0.43) CNR2POLBALDH1A1

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 HK2 4850/4885TP53 918/4885CNR2 1898/4885

“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.