SCHEMBL5493555

SCHEMBL5493555

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CCCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 3/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MAPK14 Q16539 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL4384147 0.85 ALDH1A1 (0.34) MEN1KMT2AGSK3BCDK5CDK5R1
SCHEMBL4382835 0.79 CYP4F2 (0.43) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4385889 0.79 CDK1 (0.36) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4384766 0.74 HMGCR (0.41) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4389711 0.73 CYP4F2 (0.41) MAPTMAPK1TDP1L3MBTL1FFAR1
SCHEMBL4385645 0.73 MAPK14 (0.41) CDK1CCNB1MAPTMAPK1TDP1
SCHEMBL4383171 0.73 PTGER1 (0.48) FFAR1FFAR4MAPK14PTGER1PTGER4
SCHEMBL4381854 0.72 CDK5 (0.36) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4384038 0.72 MAPK14 (0.35) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4381387 0.72 MAPK14 (0.35) GSK3BCDK5CDK5R1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4784/4885KMT2A 3994/4885GSK3B 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.