SCHEMBL4252306

SCHEMBL4252306

CC(=O)OC(C)(C)c1ccccc1CC[C@@H](SCC1CC1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.46
▸ CYSLTR2 Q9NS75 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
Acetic Acid SCHEMBL4252301 0.90 CYSLTR2 (0.54) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL4540937 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL1593088 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL1204494 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL1115929 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL1768661 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL2076669 0.85 CYSLTR1 (0.63) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL6111299 0.85 CYSLTR1 (0.63) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL1592792 0.85 CYSLTR1 (0.63) CYSLTR1CYSLTR2MEN1RECQLBLM
SCHEMBL6109991 0.85 CYSLTR1 (0.63) CYSLTR1CYSLTR2MEN1RECQLBLM

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-20090124657-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONTELUKAST DR. REDDY'S LABORATORIES, INC. 2009-05-14 — — 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-20090124657-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONTELUKAST PRSS3, LTC4S, CYSLTR1 CYSLTR1 3/4885CYSLTR2 4/4885MEN1 2783/4885

“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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