SCHEMBL4384028

SCHEMBL4384028

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1Cc1n[nH]c(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.42
MAPK14 Q16539 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
GSK3B P49841 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
IKBKE Q14164 1/20 0.35

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
SCHEMBL4385063 0.88 MAPK14 (0.39) NOTUMMAPK14SLC22A12NPC1RAB9A
SCHEMBL4388883 0.78 MAOB (0.37) MAPK14GSK3BCDK5CDK5R1CDK1
SCHEMBL4380795 0.77 FAAH (0.38) MAPK14GSK3BCDK5CDK5R1
SCHEMBL4379288 0.76 NOTUM (0.41) NOTUMSLC22A12
SCHEMBL4396537 0.76 PTGER1 (0.38) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL4392076 0.75 PTGER1 (0.46) NOTUML3MBTL1
SCHEMBL4385645 0.74 MAPK14 (0.41) MAPK14NPC1RAB9AL3MBTL1CDK1
SCHEMBL4383171 0.74 PTGER1 (0.48) MAPK14NPC1RAB9A
SCHEMBL4382835 0.73 CYP4F2 (0.43) MAPK14NPC1RAB9AL3MBTL1GSK3B
SCHEMBL4384187 0.71 FAAH (0.36) 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 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 NOTUM 2617/4885MAPK14 1693/4885SLC22A12 1903/4885

“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.