SCHEMBL4381533

SCHEMBL4381533

c1ccc(COc2cc(CC3O[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)O3)c(-c3ccccc3)c(OCc3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 4/20 0.37
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
ABCB1 P08183 1/20 0.37
MAPT P10636 1/20 0.37
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
PPARG P37231 1/20 0.35
MAOB P27338 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4387838 1.00 PIN1 (0.43) PIN1L3MBTL1GSK3BCDK5CDK5R1
SCHEMBL4386754 0.83 PIN1 (0.37) PIN1L3MBTL1ABCB1MAPTMAOB
SCHEMBL4379859 0.83 PIN1 (0.37) PIN1L3MBTL1ABCB1MAPTMAOB
SCHEMBL4388100 0.78 GSK3B (0.34) PIN1L3MBTL1GSK3BCDK5CDK5R1
SCHEMBL4385084 0.77 MAPK14 (0.35) PIN1L3MBTL1GSK3BCDK5CDK5R1
SCHEMBL4381387 0.77 MAPK14 (0.35) PIN1L3MBTL1GSK3BCDK5CDK5R1
SCHEMBL4381514 0.74 CA9 (0.40) L3MBTL1MAPTMAOBPTGER1PTGER4
SCHEMBL4380021 0.74 CYP4F2 (0.52) PIN1L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL4383939 0.73 PIN1 (0.45) PIN1L3MBTL1ABCB1MAPTCDK1
SCHEMBL4381051 0.71 MAOB (0.41) GSK3BCDK5CDK5R1ABCB1MAPT

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 PIN1 1602/4885L3MBTL1 3218/4885GSK3B 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.