SCHEMBL2863084

SCHEMBL2863084

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.46
TLR8 Q9NR97 6/20 0.46
TLR7 Q9NYK1 6/20 0.46
ACHE P22303 5/20 0.44
BCHE P06276 3/20 0.44
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 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
SCHEMBL2868859 0.94 TLR9 (0.45) TLR9TLR8TLR7ACHEBCHE
SCHEMBL2859333 0.94 TLR9 (0.43) TLR9TLR8TLR7ACHEBCHE
SCHEMBL28757488 0.92 TLR9 (0.44) TLR9TLR8TLR7ACHEBCHE
SCHEMBL2860060 0.91 TLR8 (0.45) TLR9TLR8TLR7ACHEBCHE
SCHEMBL2861402 0.90 TLR8 (0.44) TLR9TLR8TLR7ACHEBCHE
SCHEMBL2861704 0.89 TLR9 (0.43) TLR9TLR8TLR7CYP1A2HSP90AA1
SCHEMBL2866539 0.89 SLC22A6 (0.47) TLR9TLR8TLR7CYP1A2HSP90AA1
SCHEMBL2869153 0.89 TLR9 (0.37) TLR9TLR8TLR7CYP3A4TSHR
SCHEMBL2856197 0.88 TLR8 (0.44) TLR9TLR8TLR7ACHECYP1A2
Hydrochloric Acid SCHEMBL2861699 0.88 ALDH1A1 (0.37) TLR9TLR8TLR7TSHRALDH1A1

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 TLR9 3438/4885TLR8 1383/4885TLR7 1035/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TLR9 3438/4885TLR8 1383/4885TLR7 1035/4885

“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.