SCHEMBL6413376

SCHEMBL6413376

COc1ccc(Oc2ccc3c(c2)CC(C(=O)O)C(C(F)(F)F)O3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARD Q03181 1/20 0.41
MTNR1A P48039 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALOX5 P09917 1/20 0.36
GLS O94925 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
SLC8A1 P32418 1/20 0.36
ABCB1 P08183 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL6406090 1.00 GABRA1 (0.45) GABRA1GABRB2PTGS1PTGS2PPARD
SCHEMBL6407685 0.91 ALOX5 (0.44) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL6408673 0.91 ALOX5 (0.44) PDE4APDE4BPDE4CPDE4DALOX5
SCHEMBL6780340 0.89 PDE4A (0.43) PTGS1PTGS2PPARDPDE4APDE4B
SCHEMBL6405407 0.89 FFAR4 (0.41) PTGS1PTGS2PDE4APDE4BPDE4C
SCHEMBL6406371 0.89 FFAR4 (0.41) PTGS1PTGS2PDE4APDE4BPDE4C
SCHEMBL6410142 0.89 PDE4A (0.43) PTGS1PTGS2PPARDPDE4APDE4B
SCHEMBL6410905 0.87 FFAR1 (0.38) GABRA1GABRB2PTGS1PTGS2PPARD
SCHEMBL6407128 0.87 FFAR1 (0.38) GABRA1GABRB2PTGS1PTGS2PPARD
SCHEMBL6409206 0.84 PTGDR2 (0.40) PTGS1PTGS2

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
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 GABRA1 3184/4885GABRB2 1591/4885PTGS1 5/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 GABRA1 2987/4885GABRB2 1900/4885PTGS1 2/4885

“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.