SCHEMBL6405701

SCHEMBL6405701

O=C(O)[C@@H]1Cc2cc(Oc3ccc(C(F)(F)F)cc3)cc(Cl)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 5/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TLR8 Q9NR97 2/20 0.34
THRB P10828 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL6413449 1.00 FFAR4 (0.38) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL6405460 0.92 ALDH1A1 (0.38) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL6780340 0.83 PDE4A (0.43) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL6410142 0.83 PDE4A (0.43) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL6407140 0.82 PTGS2 (0.52) FFAR4PTGS1PTGS2
SCHEMBL6410866 0.82 PTGS2 (0.52) FFAR4PTGS1PTGS2
SCHEMBL6412831 0.80 FFAR1 (0.45) FFAR4FFAR1PTGDR2
SCHEMBL6410857 0.80 FFAR1 (0.45) FFAR4FFAR1PTGDR2
SCHEMBL6409650 0.78 PTGS2 (0.47) LMNAMAPTPTGS1PTGS2
SCHEMBL6405565 0.78 PTGS2 (0.47) LMNAMAPTPTGS1PTGS2

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 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 FFAR4 1283/4885PDE4A 1113/4885PDE4B 1149/4885

“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.