SCHEMBL2866296

SCHEMBL2866296

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
PDE4B Q07343 1/20 0.34
PTPN1 P18031 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
HPGD P15428 2/20 0.31
CA9 Q16790 1/20 0.31
HSD17B2 P37059 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 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
SCHEMBL2857052 0.90 KDM4E (0.47) KDM4EPDE4BPTPN1MAPTALDH1A1
SCHEMBL2862948 0.90 KDM4E (0.38) KDM4EPDE4BPTPN1NPC1RAB9A
SCHEMBL2861686 0.89 KDM4E (0.47) KDM4EPDE4BPTPN1RAB9APOLB
SCHEMBL2861144 0.88 KDM4E (0.42) KDM4EPDE4BPTPN1NPC1RAB9A
SCHEMBL2859968 0.86 KDM4E (0.54) KDM4EPDE4BALDH1A1CA9
SCHEMBL2856153 0.85 KDM4E (0.38) KDM4EPDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL2866517 0.85 KDM4E (0.41) KDM4EPDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL2858286 0.85 KDM4E (0.44) KDM4EPDE4BPTPN1NPC1RAB9A
SCHEMBL2859038 0.84 KDM4E (0.40) KDM4EPDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL2863296 0.84 KDM4E (0.34) KDM4EPDE4BNPC1RAB9ASMN1; SMN2

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 2968/4885PDE4B 4345/4885PTPN1 828/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885PDE4B 4345/4885PTPN1 828/4885

“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.