SCHEMBL9950289

SCHEMBL9950289

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 12/20 0.54
▸ CYSLTR2 Q9NS75 8/20 0.54
▸ ABCC1 P33527 4/20 0.49
▸ ABCC2 Q92887 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ABCC3 O15438 1/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ ABCC5 O15440 1/20 0.49
▸ SLCO2B1 O94956 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL9950291 1.00 CYSLTR1 (0.54) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4416752 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4416755 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9691054 0.86 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL9691057 0.86 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL14843664 0.83 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL28025551 0.83 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL14843663 0.83 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4957634 0.83 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4808042 0.82 MEN1 (0.51) CYSLTR1CYSLTR2MEN1KMT2A

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-8569508-B2 Synthetic method for montelukast sodium intermediate SHANDONG NEW TIME PHARMACEUTICAL CO., LTD. (CN) 2013-10-29 — — US disclosed
US-20120165535-A1 SYNTHETIC METHOD FOR MONTELUKAST SODIUM INTERMEDIATE SHANDONG NEW TIME PHARMACEUTICAL CO. LTD. (CN) 2012-06-28 — — 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 (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-20120165535-A1 SYNTHETIC METHOD FOR MONTELUKAST SODIUM INTERMEDIATE LTC4S, CMA1, PTGIS CYSLTR1 21/4885CYSLTR2 6/4885ABCC1 4364/4885

“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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