SCHEMBL2855872

SCHEMBL2855872

COCOc1cc(CC(=O)OC)cc(OCOC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.55
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC7A5 Q01650 1/20 0.38
GRM5 P41594 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL13178572 0.83 SLC7A5 (0.50) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL9732769 0.82 ALDH1A1 (0.56) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL348963 0.81 HSP90AB1 (0.62) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14626264 0.79 HSP90AB1 (0.51) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL2857252 0.78 HSP90AB1 (0.50) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL21891794 0.78 HSP90AB1 (0.75) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL14558932 0.77 HSP90AB1 (0.53) HSP90AB1CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL490786 0.77 MEN1 (0.59) HSP90AB1ALDH1A1NPC1RAB9AHPGD
SCHEMBL27088422 0.77 PLA2G2A (0.58) HSP90AB1
SCHEMBL31225523 0.76 MAOB (0.42) ALDH1A1GAAMAPTHPGDKDM4E

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 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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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 (3 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 HSP90AB1 1/4885CYP4F2 2636/4885CYP4A11 2153/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HSP90AB1 1/4885CYP4F2 2636/4885CYP4A11 2153/4885
US-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P HSP90AB1 1/4885CYP4F2 2547/4885CYP4A11 1072/4885

“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.