SCHEMBL2866409

SCHEMBL2866409

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N(C)CCO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SLC22A12 Q96S37 4/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSPO P30536 1/20 0.35

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
SCHEMBL2860094 0.90 SIGMAR1 (0.37) SIGMAR1HSP90AA1CYP3A4CYP2D6CYP2C19
SCHEMBL2856124 0.90 HPGD (0.38) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2862959 0.88 PTGS2 (0.42) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2861328 0.86 MMP1 (0.36) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2857173 0.86 HSP90AA1 (0.35) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2858220 0.85 TLR9 (0.36) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2860096 0.84 HPGD (0.34) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2866280 0.82 TLR9 (0.35) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2861241 0.81 ALDH1A1 (0.45) HPGDMAPTTSHRALDH1A1
SCHEMBL2861272 0.81 MAPT (0.47) HSP90AA1CYP3A4CYP2D6CYP2C19HPGD

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 SIGMAR1 435/4885HSP90AA1 4/4885CYP3A4 2051/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SIGMAR1 435/4885HSP90AA1 4/4885CYP3A4 2051/4885

“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.