SCHEMBL2859958

SCHEMBL2859958

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)c(OC)c2)c1CC(=O)N(CCO)Cc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
ACHE P22303 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2866424 0.90 MAPT (0.50) ALOX15MAPTTP53SMN1; SMN2TSHR
SCHEMBL2869198 0.87 ACHE (0.44) MAPTACHETLR8TLR7TSHR
SCHEMBL2863179 0.84 ACHE (0.41) MAPTACHETLR8TLR7TSHR
SCHEMBL2860060 0.83 TLR8 (0.45) MAPTTP53ACHETLR8TLR7
SCHEMBL2859694 0.82 ACHE (0.44) ACHETLR8TLR7TSHRBLM
SCHEMBL2863190 0.82 TUBB4A (0.43) ACHETLR8TLR7PDE4APDE4B
SCHEMBL2856087 0.81 TLR8 (0.40) TP53ACHETLR8TLR7TSHR
SCHEMBL2865425 0.80 TLR9 (0.43) TP53ACHETLR8TLR7PDE4A
SCHEMBL2858791 0.80 TLR9 (0.41) L3MBTL1TP53ACHETLR8TLR7
SCHEMBL2866448 0.80 TLR9 (0.41) TP53ACHETLR8TLR7PDE4A

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 ALOX15 4762/4885L3MBTL1 1050/4885MAPT 1791/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALOX15 4762/4885L3MBTL1 1050/4885MAPT 1791/4885

“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.