SCHEMBL2792722

SCHEMBL2792722

C=C(c1cccc(C(CCCl)c2ccccc2C(C)(C)O)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CHRM3 P20309 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
SCHEMBL5498781 0.84 CBLB (0.34) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL1401054 0.82 PLA2G2A (0.38) RECQL
SCHEMBL2791966 0.80 MEN1 (0.44) MEN1RECQLBLMKMT2A
SCHEMBL2793767 0.79 CYSLTR2 (0.56) MEN1RECQLBLMKMT2AABCB11
SCHEMBL5502332 0.78 CBLB (0.34) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL5493630 0.76 PNP (0.38) MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL1947899 0.76 CBLB (0.34) CYSLTR2CYSLTR1
SCHEMBL3779584 0.76 PLA2G2A (0.38) RECQL
SCHEMBL1401180 0.75 PLA2G2A (0.38) —
SCHEMBL3780083 0.74 PLA2G2A (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168432-A1 Process for the Preparation of Montelukast MATRIX LABORATORIES LTD (IN) 2010-07-01 — — US claimed

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-20100168432-A1 Process for the Preparation of Montelukast CMA1, MPST, MED1 MEN1 2668/4885RECQL 4474/4885BLM 4626/4885

“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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