SCHEMBL4384172

SCHEMBL4384172

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2cccc(O)c2)c1CC1O[C@H](COC)[C@@H](COC)O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CDK1 P06493 5/20 0.35
CCNB1 P14635 5/20 0.35
GSK3B P49841 5/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
ERN1 O75460 3/20 0.34
PTGER1 P34995 3/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
MAOB P27338 2/20 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
SCHEMBL4386156 0.87 ESR1 (0.36) ESR1ESR2CDK1CCNB1GSK3B
SCHEMBL4386419 0.87 ESR1 (0.36) ESR1ESR2CDK1CCNB1GSK3B
SCHEMBL4381854 0.80 CDK5 (0.36) CDK1CCNB1GSK3BCCNE2CCNE1
SCHEMBL4379754 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL4385084 0.78 MAPK14 (0.35) CDK1CCNB1GSK3BCCNE2CCNE1
SCHEMBL4384038 0.78 MAPK14 (0.35) CDK1CCNB1GSK3BCCNE2CCNE1
SCHEMBL4381387 0.78 MAPK14 (0.35) CDK1CCNB1GSK3BCCNE2CCNE1
SCHEMBL4383920 0.77 MAOB (0.41) GSK3BCDK5CDK5R1ERN1MAOB
SCHEMBL4381051 0.77 MAOB (0.41) GSK3BCDK5CDK5R1ERN1MAOB
SCHEMBL4382854 0.77 MAPT (0.34) CDK1CCNB1GSK3BCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P ESR1 610/4885ESR2 1033/4885CDK1 1368/4885

“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.