SCHEMBL3132243

SCHEMBL3132243

CC(C)(O)c1ccccc1[C@@H](CCO)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 3/20 0.56
▸ CYSLTR1 Q9Y271 3/20 0.56
▸ CYP2C8 P10632 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ ADRB2 P07550 1/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ ADRA2B P18089 1/20 0.56

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
SCHEMBL3131403 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL3125908 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL3028209 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL2793767 0.93 CYSLTR2 (0.56) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL27318096 0.90 CYSLTR2 (0.55) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL27600259 0.90 CYSLTR2 (0.55) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL27727914 0.90 CYSLTR2 (0.55) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL3355559 0.87 CYSLTR1 (0.53) CYSLTR2CYSLTR1CYP2C8MEN1RECQL
SCHEMBL625607 0.85 CYSLTR1 (0.52) CYSLTR2CYSLTR1MEN1KMT2AABCB11
SCHEMBL2569565 0.85 CYSLTR2 (0.53) CYSLTR2CYSLTR1CYP2C8MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292251-A1 MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-18 — — US disclosed
EP-2203557-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF Codexis, Inc. (US) 2010-07-07 — — EP disclosed
WO-2009042984-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-04-02 — — WO 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-20100292251-A1 MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF CMA1, CYSLTR2, CYSLTR1 CYSLTR2 2/4885CYSLTR1 3/4885CYP2C8 1004/4885

“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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