SCHEMBL5495545

SCHEMBL5495545

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OCCC3CNCCO3)c(OC)c2)c(CC(=O)OC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.36
ADRA2C P18825 1/20 0.35
PDE4B Q07343 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
REN P00797 3/20 0.32
MAPT P10636 1/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
BRD4 O60885 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2866507 0.82 KDM4E (0.51) KDM4EALDH1A1PDE4BLMNAMAPT
SCHEMBL2861258 0.82 KDM4E (0.51) KDM4EALDH1A1PDE4BGAAMAPT
SCHEMBL2859968 0.82 KDM4E (0.54) KDM4EALDH1A1PDE4BGAALMNA
SCHEMBL2863523 0.80 KDM4E (0.41) KDM4EALDH1A1PDE4BLMNATDP1
SCHEMBL2860139 0.80 LMNA (0.46) KDM4EALDH1A1LMNA
SCHEMBL2856150 0.79 KDM4E (0.46) KDM4EPDE4BMEN1KMT2A
SCHEMBL2859385 0.79 KDM4E (0.46) KDM4EPDE4B
SCHEMBL2861716 0.79 KDM4E (0.45) KDM4EALDH1A1PDE4BLMNAMAPT
SCHEMBL2863788 0.78 NPC1 (0.40) KDM4EALDH1A1LMNATDP1
SCHEMBL2861686 0.77 KDM4E (0.47) KDM4EALDH1A1PDE4BGAAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KDM4E 2968/4885ALDH1A1 2940/4885ADRA2C 3370/4885

“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.