SCHEMBL2869169

SCHEMBL2869169

CCc1c(O)cc(O)c(C(=O)c2ccc(O)c(OC)c2)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
BLM P54132 1/20 0.43
HSD17B2 P37059 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTT P42858 1/20 0.38
SYNJ2 O15056 1/20 0.36

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
SCHEMBL2866539 0.96 SLC22A6 (0.47) SLC22A6SLC22A8CYP1A2HSP90AA1HSP90AB1
SCHEMBL2860060 0.94 TLR8 (0.45) SLC22A6SLC22A8CYP1A2HSP90AA1HSP90AB1
SCHEMBL2856143 0.92 TLR9 (0.41) SLC22A6SLC22A8CYP1A2HSP90AA1HSP90AB1
SCHEMBL2858791 0.91 TLR9 (0.41) CYP1A2HSP90AA1HSP90AB1BLMKDM4E
SCHEMBL2866448 0.91 TLR9 (0.41) CYP1A2HSP90AA1HSP90AB1BLMKDM4E
SCHEMBL2865425 0.91 TLR9 (0.43) CYP1A2KDM4ETLR9TLR8TLR7
SCHEMBL2869148 0.91 TLR8 (0.43) CYP1A2HSP90AA1HSP90AB1BLMKDM4E
SCHEMBL2859824 0.90 TLR9 (0.40) CYP1A2HSP90AA1HSP90AB1BLMKDM4E
SCHEMBL2869198 0.89 ACHE (0.44) SLC22A6SLC22A8CYP1A2HSP90AA1HSP90AB1
SCHEMBL2856087 0.89 TLR8 (0.40) SLC22A6SLC22A8CYP1A2HSP90AA1HSP90AB1

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 7 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 claimed
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 SLC22A6 1282/4885SLC22A8 1843/4885CYP1A2 1343/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SLC22A6 1282/4885SLC22A8 1843/4885CYP1A2 1343/4885

“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.