SCHEMBL4902548

SCHEMBL4902548

FC1CCc2ccc3ccccc3c2O1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 18/20 0.52
NFKB2 Q00653 18/20 0.52
RELA Q04206 18/20 0.52

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
SCHEMBL633738 0.80 NFKB1 (0.56) NFKB1NFKB2RELA
SCHEMBL10733681 0.76 NFKB1 (0.52) NFKB1NFKB2RELA
SCHEMBL8045126 0.76 NFKB1 (0.62) NFKB1NFKB2RELA
SCHEMBL6749348 0.76 NFKB1 (0.62) NFKB1NFKB2RELA
SCHEMBL8048594 0.75 NFKB1 (0.72) NFKB1NFKB2RELA
SCHEMBL8044013 0.75 NFKB1 (0.68) NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL8970554 0.75 NFKB1 (0.61) NFKB1NFKB2RELA
SCHEMBL24102069 0.74 DPP4 (0.45) NFKB1NFKB2RELA
SCHEMBL8970368 0.73 NFKB1 (0.52) NFKB1NFKB2RELA
SCHEMBL10510563 0.68 NFKB1 (0.59) NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-24 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-20080020148-A1 Chromane Derivatives Method for Production and the Use Thereof C1S, CHRM1, C1R NFKB1 4261/4885NFKB2 3176/4885RELA 3860/4885

“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.