SCHEMBL5650171

SCHEMBL5650171

CCOC(=O)C1=Cc2ccc(C(=O)c3ccc(C)cc3)cc2OC1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.47
PTGS1 P23219 13/20 0.45
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5645364 0.89 PTGS2 (0.56) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5666926 0.85 ALDH1A1 (0.46) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645387 0.85 PTGS2 (0.50) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL20825823 0.84 PTGS2 (0.48) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL6095904 0.84 PTGS2 (0.55) PTGS2PTGS1ALDH1A1HPGD
SCHEMBL5645501 0.83 PTGS2 (0.49) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5646373 0.83 PTGS2 (0.49) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5651230 0.82 PTGS2 (0.45) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5646242 0.82 PTGS2 (0.48) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL27918716 0.82 PTGS2 (0.48) PTGS2PTGS1NFKB1NFKB2RELA

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 PTGS2 3/4885PTGS1 6/4885NFKB1 164/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES PTGS2 4/4885PTGS1 7/4885NFKB1 270/4885

“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.