SCHEMBL2860397

SCHEMBL2860397

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
HSD17B2 P37059 1/20 0.39
POLB P06746 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2857247 0.97 KDM4E (0.40) KDM4ESLC22A6SLC22A8CYP1A2HSP90AA1
SCHEMBL2854406 0.91 KDM4E (0.39) KDM4ESLC22A6SLC22A8CYP1A2HSP90AA1
SCHEMBL2860266 0.90 KDM4E (0.44) KDM4ECYP1A2TLR9TLR8TLR7
SCHEMBL2866492 0.90 KDM4E (0.44) KDM4ECYP1A2TLR9TLR8TLR7
SCHEMBL2858197 0.90 KDM4E (0.46) KDM4ETLR9TLR8TLR7RAB9A
SCHEMBL2860078 0.89 KDM4E (0.46) KDM4ETLR9TLR8TLR7RAB9A
SCHEMBL2859160 0.89 KDM4E (0.46) KDM4EPOLBTLR9TLR8TLR7
SCHEMBL2866419 0.89 KDM4E (0.46) KDM4ECYP1A2POLBTLR9TLR8
SCHEMBL2859686 0.88 KDM4E (0.43) KDM4ECYP1A2TLR9TLR8TLR7
SCHEMBL2865029 0.88 KDM4E (0.45) KDM4ETLR9TLR8TLR7RAB9A

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 2968/4885SLC22A6 1282/4885SLC22A8 1843/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885SLC22A6 1282/4885SLC22A8 1843/4885

“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.