SCHEMBL4379976

SCHEMBL4379976

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1CC(=O)N(CCO)CCCOC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 2/20 0.39
APP P05067 3/20 0.39
RAF1 P04049 3/20 0.37
MAP2K1 Q02750 3/20 0.37
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ABCB1 P08183 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
SCHEMBL4381860 0.85 EGFR (0.40) NPC1RAB9A
SCHEMBL4392541 0.81 MLNR (0.38) MLNRKMT2ARAB9A
SCHEMBL4383171 0.78 PTGER1 (0.48) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4380278 0.77 HPGD (0.42) NPC1KDM4ELMNAHPGDRAB9A
SCHEMBL4382835 0.74 CYP4F2 (0.43) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4384794 0.73 PLA2G2A (0.41) NPC1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4381086 0.72 ALDH1A1 (0.42) MEN1LMNAKMT2ARAB9A
SCHEMBL4381582 0.72 LRRK2 (0.41) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4395202 0.70 L3MBTL1 (0.42) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4383989 0.70 YAP1 (0.41) MEN1LMNAKMT2ARAB9A

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 846/4885APP 2244/4885RAF1 646/4885

“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.