SCHEMBL4380674

SCHEMBL4380674

CCc1c(OCOC)cc(OCOC)c(Br)c1CCOCCOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4389025 0.85 NPC1 (0.40) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL4389550 0.85 KDM4C (0.40) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL4389473 0.85 KDM4C (0.40) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL4389503 0.82 KDM4C (0.38) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL4381653 0.81 KDM4C (0.35) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL2864980 0.74
SCHEMBL2871555 0.73 KDM4C (0.37) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL4386208 0.72 KDM4C (0.42) NPC1RAB9AKDM4CL3MBTL1MEN1
SCHEMBL2860209 0.71 CA2 (0.32)
SCHEMBL4385036 0.71 KDM4C (0.36) NPC1RAB9AKDM4CMEN1KMT2A

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 NPC1 1090/4885RAB9A 585/4885KDM4C 4309/4885

“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.