SCHEMBL4381387

SCHEMBL4381387

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CC1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.35
GSK3B P49841 5/20 0.34
CDK5 Q00535 5/20 0.34
CDK5R1 Q15078 5/20 0.34
CDK1 P06493 5/20 0.33
CCNB1 P14635 5/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC5A2 P31639 1/20 0.32
PIN1 Q13526 1/20 0.32
MCL1 Q07820 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 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
SCHEMBL4384038 1.00 MAPK14 (0.35) MAPK14GSK3BCDK5CDK5R1CDK1
SCHEMBL4385084 1.00 MAPK14 (0.35) MAPK14GSK3BCDK5CDK5R1CDK1
SCHEMBL4386156 0.92 ESR1 (0.36) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4382854 0.92 MAPT (0.34) MAPK14GSK3BCDK5CDK5R1CDK1
SCHEMBL4386419 0.92 ESR1 (0.36) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4382457 0.92 MAPT (0.33) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL4381854 0.91 CDK5 (0.36) MAPK14GSK3BCDK5CDK5R1CDK1
SCHEMBL4392462 0.91 C5AR1 (0.37) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL6025486 0.91 C5AR1 (0.37) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL4380707 0.91 C5AR1 (0.37) MAPK14MAPTMAPK1TDP1L3MBTL1

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 MAPK14 1693/4885GSK3B 2317/4885CDK5 1224/4885

“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.