SCHEMBL4385889

SCHEMBL4385889

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CC1OCC(CO)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.36
CCNB1 P14635 5/20 0.36
GSK3B P49841 5/20 0.36
CDK5 Q00535 5/20 0.36
CDK5R1 Q15078 5/20 0.36
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
FFAR1 O14842 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ACACB O00763 1/20 0.32
USP7 Q93009 2/20 0.32
MAPK14 Q16539 1/20 0.32
RXRA P19793 1/20 0.32

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
SCHEMBL4381854 0.79 CDK5 (0.36) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4381387 0.79 MAPK14 (0.35) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4384038 0.79 MAPK14 (0.35) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4385084 0.79 MAPK14 (0.35) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL5493555 0.79 MEN1 (0.38) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4389417 0.78 ESR1 (0.34) USP7
SCHEMBL4384147 0.77 ALDH1A1 (0.34) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4382835 0.75 CYP4F2 (0.43) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4386156 0.74 ESR1 (0.36) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL4386419 0.74 ESR1 (0.36) 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 CDK1 1368/4885CCNB1 1631/4885GSK3B 2317/4885

“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.