SCHEMBL6408673

SCHEMBL6408673

O=C(O)C1Cc2cc(Oc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
SLC8A1 P32418 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
FAAH O00519 2/20 0.39
FFAR4 Q5NUL3 3/20 0.39
KYAT1 Q16773 1/20 0.38
KYAT3 Q6YP21 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6407685 1.00 ALOX5 (0.44) ALOX5SLC8A1PPARGPPARAFAAH
SCHEMBL6410142 0.91 PDE4A (0.43) ALOX5SLC8A1PPARAFFAR4PDE4A
SCHEMBL6780340 0.91 PDE4A (0.43) ALOX5SLC8A1PPARAFFAR4PDE4A
SCHEMBL6406090 0.91 GABRA1 (0.45) ALOX5SLC8A1PDE4APDE4BPDE4C
SCHEMBL6413376 0.91 GABRA1 (0.45) ALOX5SLC8A1PDE4APDE4BPDE4C
SCHEMBL6406371 0.91 FFAR4 (0.41) ALOX5SLC8A1FFAR4PDE4APDE4B
SCHEMBL6405407 0.91 FFAR4 (0.41) ALOX5SLC8A1FFAR4PDE4APDE4B
SCHEMBL6409847 0.91 PPARG (0.39) ALOX5PPARGPPARAFAAHFFAR4
SCHEMBL6405296 0.91 PPARG (0.39) ALOX5PPARGPPARAFAAHFFAR4
SCHEMBL6406536 0.85 PTGS1 (0.47) PPARAFFAR4

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 ALOX5 444/4885SLC8A1 3442/4885PPARG 960/4885

“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.