SCHEMBL5495751

SCHEMBL5495751

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(O)cc2)c(CC(=O)N(CCO)CCOC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MLYCD O95822 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2863062 0.91 KDM4E (0.34) KDM4ETLR9TLR8TLR7MLYCD
SCHEMBL2857247 0.91 KDM4E (0.40) KDM4ETLR9TLR8TLR7GAA
SCHEMBL2865513 0.91 KDM4E (0.32) KDM4ETLR9TLR8TLR7NPC1
SCHEMBL2854406 0.90 KDM4E (0.39) KDM4ETLR9TLR8TLR7GAA
SCHEMBL2854827 0.90 KDM4E (0.33) KDM4ETLR9TLR8TLR7
SCHEMBL2859707 0.89 ALDH1A1 (0.35) KDM4ETLR9TLR8TLR7NPC1
SCHEMBL2863717 0.89 KDM4E (0.40) KDM4ETLR9TLR8TLR7MLYCD
SCHEMBL2861223 0.88 MAPT (0.43) KDM4ETLR9TLR8TLR7GAA
SCHEMBL2865268 0.88 KDM4E (0.45) KDM4ETLR9TLR8TLR7MAPT
SCHEMBL2868855 0.88 KDM4E (0.41) KDM4ETLR9TLR8TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885TLR9 3438/4885TLR8 1383/4885

“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.