SCHEMBL2865078

SCHEMBL2865078

CCc1c(O)cc(O)c(C(=O)c2cccc(O)c2)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.33
HSD17B2 P37059 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
FASN P49327 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MLYCD O95822 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 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
SCHEMBL2856108 0.91 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10TLR9TLR8
SCHEMBL2864982 0.89 MLYCD (0.36) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL2859320 0.86 MLYCD (0.34) KDM4EALDH1A1HSD17B10TLR9TLR8
SCHEMBL2863057 0.86 MLYCD (0.36) KDM4EALDH1A1HSD17B10TLR9TLR8
SCHEMBL2856143 0.85 TLR9 (0.41) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL2860060 0.85 TLR8 (0.45) KDM4EALDH1A1TLR9TLR8TLR7
SCHEMBL2869169 0.85 SLC22A6 (0.43) HSD17B2KDM4ERAB9ATLR9TLR8
SCHEMBL2869149 0.85 MLYCD (0.37) KDM4EALDH1A1HSD17B10TLR9TLR8
SCHEMBL2858220 0.85 TLR9 (0.36) TLR9TLR8TLR7MLYCDMAPT
SCHEMBL2862377 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10MLYCDMAPT

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 9 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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 HSD17B1 1112/4885HSD17B2 1617/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HSD17B1 1112/4885HSD17B2 1617/4885KDM4E 2968/4885

“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.