SCHEMBL4382254

SCHEMBL4382254

Oc1cc(O)c(-c2ccccc2)c(CCOCC2CCCO2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
OXTR P30559 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL4383213 0.89 MGLL (0.39) MGLLPRMT5WDR77KDM4EALDH1A1
SCHEMBL4386422 0.84 NPC1 (0.42) MGLLKDM4EALDH1A1
SCHEMBL4379969 0.76 PDE4B (0.35) KDM4EALDH1A1DRD2HTR2AHRH1
SCHEMBL4380187 0.74 PDE4B (0.37)
SCHEMBL4381978 0.73 PDE4B (0.40)
SCHEMBL4386433 0.70 BACE1 (0.39) ALDH1A1
SCHEMBL4382471 0.70 GRIN1 (0.40) KDM4EALDH1A1
SCHEMBL4387184 0.69 CNR2 (0.39) KDM4EALDH1A1
SCHEMBL4377973 0.68 CCR5 (0.36) KDM4EALDH1A1
SCHEMBL4391995 0.68 BACE1 (0.37) KDM4EALDH1A1

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 MGLL 4472/4885PRMT5 2380/4885WDR77 1571/4885

“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.