SCHEMBL5669756

SCHEMBL5669756

CCOC(=O)C1=Cc2ccc(OC)c(OC)c2OC1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PTGS2 P35354 18/20 0.48
PTGS1 P23219 15/20 0.48

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
SCHEMBL5645926 0.90 PTGS2 (0.49) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5649562 0.88 PTGS2 (0.47) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5647046 0.85 PTGS2 (0.52) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5645131 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5646754 0.82 PTGS2 (0.46) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5647625 0.81 PTGS1 (0.52) NFKB1NFKB2RELAPTGS2PTGS1
SCHEMBL5643597 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5648899 0.81 PTGS1 (0.52) PTGS2PTGS1
SCHEMBL5645404 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5647703 0.80 PTGS2 (0.46) PTGS2PTGS1

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-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 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 (2 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 NFKB1 164/4885NFKB2 83/4885RELA 60/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES NFKB1 270/4885NFKB2 150/4885RELA 80/4885

“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.