SCHEMBL9199180

SCHEMBL9199180

COC(=O)c1ccccc1C/C=C/c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 6/20 0.51
▸ CYSLTR1 Q9Y271 6/20 0.51
▸ PTGER1 P34995 1/20 0.45
▸ PTGER4 P35408 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ ABCC3 O15438 1/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ ABCC5 O15440 1/20 0.44
▸ SLCO2B1 O94956 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABCC2 Q92887 1/20 0.44
▸ SLCO1B3 Q9NPD5 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL9199185 1.00 CYSLTR2 (0.51) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL10224774 0.84 CYSLTR1 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9203800 0.84 PLA2G2A (0.50) —
SCHEMBL9203804 0.84 PLA2G2A (0.50) —
SCHEMBL201960 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL201961 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL30497375 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL29517073 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9119729 0.83 CYSLTR1 (0.51) CYSLTR2CYSLTR1
SCHEMBL9119725 0.83 CYSLTR1 (0.51) CYSLTR2CYSLTR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829716-B2 decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast Synthon Pharmaceuticals, Inc. (US) 2010-11-09 — — US disclosed
US-7829716-B2 decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast Synthon Pharmaceuticals, Inc. (US) 2010-11-09 — — US disclosed
US-7786138-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2010-08-31 — — US disclosed
US-7786138-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2010-08-31 — — US disclosed
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2010-04-22 — — US disclosed
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2010-04-22 — — US disclosed
US-7601741-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-10-13 — — US disclosed
US-20090093636-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2009-04-09 — — US disclosed
US-20090093636-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2009-04-09 — — US disclosed
US-7476748-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-01-13 — — US disclosed
US-20070135480-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
US-20070135642-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
US-20070135480-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
WO-2007057227-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
WO-2007057225-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
WO-2007057228-A1 A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — 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 (4 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-20070135480-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR LTC4S, LTA4H, CYSLTR1 CYSLTR2 10/4885CYSLTR1 3/4885PTGER1 64/4885
US-20070135642-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CYP4A11, CYP51A1, CYP4F11 CYSLTR2 19/4885CYSLTR1 9/4885PTGER1 83/4885
US-20090093636-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CYP4A11, CYP51A1, CYP4F11 CYSLTR2 19/4885CYSLTR1 9/4885PTGER1 83/4885
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CMA1, CYP51A1, NOTUM CYSLTR2 11/4885CYSLTR1 5/4885PTGER1 181/4885

“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.

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