SCHEMBL2866492

SCHEMBL2866492

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 4/20 0.38
PDE4B Q07343 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.35
MCHR1 Q99705 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2860266 0.93 KDM4E (0.44) KDM4ETLR9TLR8TLR7ACHE
SCHEMBL2861636 0.92 KDM4E (0.45) KDM4ETLR9TLR8TLR7ACHE
SCHEMBL2854652 0.91 MCHR1 (0.36) KDM4ETLR9TLR8TLR7TMEM97
SCHEMBL2859686 0.90 KDM4E (0.43) KDM4ETLR9TLR8TLR7ACHE
SCHEMBL2858197 0.90 KDM4E (0.46) KDM4ETLR9TLR8TLR7ACHE
SCHEMBL2860397 0.90 KDM4E (0.42) KDM4ETLR9TLR8TLR7PDE4B
SCHEMBL2859160 0.89 KDM4E (0.46) KDM4ETLR9TLR8TLR7PDE4B
SCHEMBL2866419 0.89 KDM4E (0.46) KDM4ETLR9TLR8TLR7PDE4B
SCHEMBL2860078 0.89 KDM4E (0.46) KDM4ETLR9TLR8TLR7PDE4B
SCHEMBL2859118 0.89 KDM4E (0.45) KDM4ETLR9TLR8TLR7PDE4B

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.