SCHEMBL4388407

SCHEMBL4388407

COC(=O)Cc1c(CN2CCOCC2)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
RCE1 Q9Y256 1/20 0.48
MAPT P10636 4/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
HDAC1 Q13547 1/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK7 P49862 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL4385993 0.79 L3MBTL1 (0.48) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL4380942 0.79 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDTSHRHSP90AB1
SCHEMBL4386658 0.77 L3MBTL1 (0.47) ALDH1A1KDM4EHPGDLMNAHSP90AA1
SCHEMBL4379801 0.76 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDTSHRHSP90AB1
SCHEMBL4384837 0.75 L3MBTL1 (0.44) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4387620 0.74 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDTSHRHSP90AB1
SCHEMBL4394063 0.73 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL2627962 0.72 CYP2A13 (0.55) ALDH1A1KDM4EHSD17B10TSHRCYP3A4
SCHEMBL4378331 0.72 L3MBTL1 (0.42) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL4380484 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 ALDH1A1 3520/4885KDM4E 3223/4885HPGD 3238/4885

“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.