SCHEMBL4388100

SCHEMBL4388100

Ic1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CC1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.34
CDK1 P06493 4/20 0.34
CCNB1 P14635 4/20 0.34
CDK5 Q00535 4/20 0.34
CDK5R1 Q15078 4/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PIN1 Q13526 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGER1 P34995 2/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAPK14 Q16539 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 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
SCHEMBL4385084 0.85 MAPK14 (0.35) GSK3BCDK1CCNB1CDK5CDK5R1
SCHEMBL4381387 0.85 MAPK14 (0.35) GSK3BCDK1CCNB1CDK5CDK5R1
SCHEMBL4380419 0.84 PTGER1 (0.40) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4380461 0.84 MAPK14 (0.36) MAPK14FFAR1MAPTMAPK1TDP1
SCHEMBL4387033 0.84 MAPK14 (0.36) MAPK14FFAR1MAPTMAPK1TDP1
SCHEMBL4381514 0.82 CA9 (0.40) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4381533 0.78 PIN1 (0.43) GSK3BCDK1CCNB1CDK5CDK5R1
SCHEMBL4387838 0.78 PIN1 (0.43) GSK3BCDK1CCNB1CDK5CDK5R1
SCHEMBL4386156 0.78 ESR1 (0.36) GSK3BCDK1CCNB1CDK5CDK5R1
SCHEMBL4382854 0.78 MAPT (0.34) GSK3BCDK1CCNB1CDK5CDK5R1

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 GSK3B 2317/4885CDK1 1368/4885CCNB1 1631/4885

“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.