SCHEMBL3331416

SCHEMBL3331416

C=CC(O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 7/20 0.59
▸ CYSLTR2 Q9NS75 5/20 0.59
▸ ABCC1 P33527 4/20 0.52
▸ ABCC2 Q92887 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCC5 O15440 1/20 0.52
▸ SLCO2B1 O94956 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52

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
SCHEMBL30530485 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL626121 1.00 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27878813 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL28026167 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27878868 0.88 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27970791 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL28947806 0.88 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL15748690 0.86 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4416822 0.85 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4416819 0.85 CYSLTR1 (0.61) CYSLTR1CYSLTR2ABCC1ABCC2MEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969999-A Synthesis and application of novel bidentate nitrogen ligand palladium complex 台州爱申特科技有限公司 2023-10-31 — — CN disclosed
CN-112430177-B Synthesis method of montelukast sodium intermediate 凯特立斯(深圳)科技有限公司 2023-08-25 — — CN disclosed
CN-112430177-A Synthesis method of montelukast sodium intermediate 凯特立斯(深圳)科技有限公司 2021-03-02 — — CN disclosed
WO-2014081616-A1 PREPARATION OF PRECURSORS FOR LEUKOTRIENE ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-05-30 — — WO disclosed
WO-2010064109-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST SODIUM AND ITS INTERMEDIATES MAYUKA LABS PRIVATE LIMITED (IN) 2010-06-10 — — WO disclosed
WO-2010064109-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF MONTELUKAST SODIUM AND ITS INTERMEDIATES MAYUKA LABS PRIVATE LIMITED (IN) 2010-06-10 — — WO disclosed
US-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS MCGARRITY JOHN 2010-05-27 — — US disclosed
EP-1988079-A1 Process for the preparation of optically active ethenylphenyl-alcohols LONZA AG (CH) 2008-11-05 — — EP disclosed
WO-2008035086-A2 SYNTHESIS OF LEUKOTRIENE COMPOUNDS ALMAC SCIENCES LIMITED (GB) 2008-03-27 — — WO disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 — — US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 — — EP disclosed
EP-0500360-B1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1997-06-25 — — EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 — — US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
US-5212180-A Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-05-18 — — US disclosed
EP-0500360-A1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-08-26 — — EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — 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-20100130745-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ETHENYLPHENYL ALCOHOLS ADH1A, ADH1C, ADH5 CYSLTR1 4387/4885CYSLTR2 4204/4885ABCC1 4575/4885

“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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