SCHEMBL2865268

SCHEMBL2865268

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCOC)c(OC)c2)c(CC(=O)N(CCO)CCOC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4B Q07343 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMPD1 P17405 1/20 0.32
FDPS P14324 1/20 0.32
LTA4H P09960 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
SCHEMBL2868855 0.97 KDM4E (0.41) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2865029 0.97 KDM4E (0.45) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2863717 0.97 KDM4E (0.40) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2858197 0.95 KDM4E (0.46) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2863148 0.95 KDM4E (0.41) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2857247 0.92 KDM4E (0.40) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2860078 0.91 KDM4E (0.46) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2854406 0.91 KDM4E (0.39) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2866419 0.91 KDM4E (0.46) KDM4ETLR9TLR8TLR7ALDH1A1
SCHEMBL2859160 0.89 KDM4E (0.46) KDM4ETLR9TLR8TLR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
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 (2 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
US-20090247522-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.