SCHEMBL2866491

SCHEMBL2866491

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
TP53 P04637 1/20 0.35
SMPD1 P17405 4/20 0.35
LMNA P02545 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 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
SCHEMBL2865025 0.98 TLR9 (0.36) POLBCASP6TP53SMPD1LMNA
SCHEMBL2866448 0.94 TLR9 (0.41) TP53SMPD1TLR9TLR8TLR7
SCHEMBL2858791 0.94 TLR9 (0.41) POLBTP53SMPD1TLR9TLR8
SCHEMBL2869148 0.91 TLR8 (0.43) POLBTP53SMPD1TLR9TLR8
SCHEMBL2865425 0.91 TLR9 (0.43) TP53SMPD1TLR9TLR8TLR7
SCHEMBL2856197 0.89 TLR8 (0.44) TP53SMPD1TLR9TLR8TLR7
SCHEMBL2860060 0.89 TLR8 (0.45) TP53TLR9TLR8TLR7KDM4E
SCHEMBL2869198 0.87 ACHE (0.44) TLR9TLR8TLR7KDM4EALDH1A1
SCHEMBL2856087 0.87 TLR8 (0.40) TP53SMPD1TLR9TLR8TLR7
SCHEMBL2856143 0.86 TLR9 (0.41) TP53TLR9TLR8TLR7KDM4E

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 POLB 4195/4885CASP6 3462/4885TP53 793/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P POLB 4195/4885CASP6 3462/4885TP53 793/4885

“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.