SCHEMBL4094697

SCHEMBL4094697

[C]1Oc2ccccc2OC1C1COc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
NISCH Q9Y2I1 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL6458666 0.83 ITGB2 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7471891 0.77 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL1898922 0.74
SCHEMBL11305978 0.74 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL9774593 0.74 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL7441397 0.74 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL11046521 0.74 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL11291799 0.74 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL11305709 0.74 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL18374091 0.72 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4NISCH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US 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-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 CHRNB4 173/4885CHRNA3 287/4885CHRNB2 427/4885

“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.