SCHEMBL4380441

SCHEMBL4380441

CCc1c(O)cc(O)c(-c2cccc(OC)c2)c1Cc1nn(CCO)c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.37
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
APLNR P35414 2/20 0.36
MTNR1A P48039 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
NOTUM Q6P988 1/20 0.35
ACLY P53396 1/20 0.35
ESR1 P03372 1/20 0.35
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR35 Q9HC97 1/20 0.34
MAPK1 P28482 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
SCHEMBL4386873 0.88 POLB (0.37) GRIN1ESR1
SCHEMBL4386554 0.83 ESR1 (0.35) MTNR1BESR1
SCHEMBL4380922 0.81 FAAH (0.41) MTNR1BMTNR1A
SCHEMBL4394356 0.81 NLRP3 (0.36) MTNR1BMTNR1AGRIN1ESR1
SCHEMBL4384445 0.74 HDAC4 (0.43) HDAC4HDAC8GRIN1GRIN2AACLY
SCHEMBL4388883 0.71 MAOB (0.37)
SCHEMBL4380714 0.69 HDAC4 (0.44) HDAC4HDAC8ACLYESR1GPR35
SCHEMBL4385019 0.69 HDAC4 (0.43) HDAC4HDAC8GRIN1GRIN2AACLY
SCHEMBL4381472 0.68 HDAC4 (0.37) HDAC4HDAC8ACLYMAPK1
SCHEMBL4386407 0.68 HDAC4 (0.37) HDAC4HDAC8ACLYMAPK1

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 MTNR1B 2491/4885HDAC4 985/4885HDAC8 94/4885

“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.