SCHEMBL6410142

SCHEMBL6410142

O=C(O)[C@@H]1Cc2cc(Oc3ccc(C(F)(F)F)cc3)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PPARD Q03181 2/20 0.41
FFAR1 O14842 2/20 0.37
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC8A1 P32418 1/20 0.36
FFAR4 Q5NUL3 5/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MAPK14 Q16539 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6780340 1.00 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPPARD
SCHEMBL6408673 0.91 ALOX5 (0.44) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL6407685 0.91 ALOX5 (0.44) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL6413376 0.89 GABRA1 (0.45) PDE4APDE4BPDE4CPDE4DPPARD
SCHEMBL6406371 0.89 FFAR4 (0.41) PDE4APDE4BPDE4CPDE4DFFAR1
SCHEMBL6405407 0.89 FFAR4 (0.41) PDE4APDE4BPDE4CPDE4DFFAR1
SCHEMBL6406090 0.89 GABRA1 (0.45) PDE4APDE4BPDE4CPDE4DPPARD
SCHEMBL6407885 0.87 PTGS1 (0.44) PPARDFFAR1PTGS1PTGS2FFAR4
SCHEMBL6407208 0.87 PTGS1 (0.44) PPARDFFAR1PTGS1PTGS2FFAR4
SCHEMBL6410857 0.84 FFAR1 (0.45) FFAR1FFAR4

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP 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 PDE4A 1113/4885PDE4B 1149/4885PDE4C 1313/4885

“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.