SCHEMBL4392541

SCHEMBL4392541

CCc1c(O)cc(O)c(-c2ccccc2)c1CC(=O)N(CCO)CCCOC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLNR O43193 2/20 0.38
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4395202 0.90 L3MBTL1 (0.42) L3MBTL1GAAHTTKMT2ANPSR1
SCHEMBL4389162 0.82 L3MBTL1 (0.41) CNR2L3MBTL1GAAHTTKMT2A
SCHEMBL4379976 0.81 MLNR (0.39) MLNRKMT2ARAB9A
SCHEMBL2856108 0.78 ALDH1A1 (0.35) L3MBTL1HTTMAPK1ALDH1A1
SCHEMBL2860096 0.77 HPGD (0.34) GAAHTT
SCHEMBL2860072 0.77 NPC1 (0.39) L3MBTL1GAAHTTKMT2ANPSR1
SCHEMBL2856087 0.76 TLR8 (0.40) GAAMAPK1ALDH1A1TP53
SCHEMBL4381860 0.75 EGFR (0.40) RAB9A
SCHEMBL27655771 0.75 TRPM8 (0.33)
SCHEMBL27634752 0.74

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 MLNR 846/4885CNR2 1898/4885L3MBTL1 3218/4885

“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.