SCHEMBL201920

SCHEMBL201920

CC(C)(O)c1ccccc1CC[C@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.66
▸ CYP2C8 P10632 2/20 0.66
▸ CYSLTR2 Q9NS75 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ EGFR P00533 1/20 0.66
▸ ESR1 P03372 1/20 0.66
▸ NR3C1 P04150 1/20 0.66
▸ FYN P06241 1/20 0.66
▸ PGR P06401 1/20 0.66
▸ ADRB2 P07550 1/20 0.66
▸ ADRB1 P08588 1/20 0.66
▸ ADRA2A P08913 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ ADRB3 P13945 1/20 0.66
▸ ADRA2B P18089 1/20 0.66

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
SCHEMBL990277 1.00 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1150080 1.00 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL29903285 1.00 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL30205136 1.00 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL9926899 1.00 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL201921 1.00 CYSLTR1 (0.66) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
Alcohol SCHEMBL2569564 0.97 CYSLTR1 (0.64) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL2886354 0.95 CYSLTR1 (0.63) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL2886360 0.95 CYSLTR1 (0.63) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL28786456 0.95 CYSLTR1 (0.63) CYSLTR1CYP2C8CYSLTR2MEN1RECQL

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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8617853-B2 Ketoreductase polypeptides for the production of (S,E)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate CODEXIS, INC. (US) 2013-12-31 — — US claimed
US-20120184000-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (S,E)-METHYL 2-(3-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)-3-HYDROXYPROPYL)BENZOATE CODEXIS, INC. (US) 2012-07-19 — — US claimed
EP-2203557-B1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS INC (US) 2012-02-29 — — EP claimed
EP-2203557-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF Codexis, Inc. (US) 2010-07-07 — — EP claimed
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-06-18 — — US claimed
WO-2009042984-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-04-02 — — WO claimed
US-12233055-B2 Topical Montelukast formulations TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2025-02-25 — — US disclosed
US-11844861-B2 Topical Montelukast formulations TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-12-19 — — US disclosed
US-20230248641-A1 TOPICAL MONTELUKAST FOR TREATMENT OF ATOPIC DERMATITIS TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-08-10 — — US disclosed
EP-4099982-A1 TOPICAL MONTELUKAST FORMULATIONS Taro Pharmaceutical Industries Ltd. (IL) 2022-12-14 — — EP disclosed
CN-115038427-A Topical montelukast formulations 塔罗制药工业有限公司 2022-09-09 — — CN disclosed
US-20220016028-A1 TOPICAL MONTELUKAST FORMULATIONS TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2022-01-20 — — US disclosed
US-20210393613-A1 TOPICAL MONTELUKAST FORMULATIONS TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2021-12-23 — — US disclosed
US-20070208178-A1 Reacting the side-chain precursor 1-(mercaptomethyl)cyclopropaneacetic acid (not an ester) with 2-(2-(3S)-(3-(7-chloro-2-quinolinyl)-vinylphenyl)-3-(methanesulfonyloxypropyl)phenyl-2-propanol in a basic solvent mixture; forming an amine salt; and exchanging the amine cation with sodium; 99.5+% pure CHEMAGIS LTD. (IL) 2007-09-06 — — US disclosed
WO-2007096889-A2 PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF CHEMAGIS LTD. (IL) 2007-08-30 — — WO disclosed
WO-2007072114-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF MONTELUKAST SODIUM GLADE ORGANICS PRIVATE LIMITED (IN) 2007-06-28 — — WO disclosed
US-20070082925-A1 Method for the preparation of montelukast acid and sodium salt thereof in amorphous form MOREPEN LABORATORIES LIMITED (IN) 2007-04-12 — — US disclosed
US-20070082925-A1 Method for the preparation of montelukast acid and sodium salt thereof in amorphous form MOREPEN LABORATORIES LIMITED (IN) 2007-04-12 — — US disclosed
US-7189853-B2 Process for the preparation of [R-(E)-1-[[[1-[3-[2-[7-chloro-2-quinolinyl]ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid (Montelukast) and its pharmaceutically acceptable salts DR. REDDY'S LABORATORIES LIMITED (IN) 2007-03-13 — — US disclosed
WO-2007004237-A2 A PROCESS FOR THE PREPARATION OF MONTELUKAST MATRIX LABORATORIES LTD (IN) 2007-01-11 — — 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 (7 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-11844861-B2 Topical Montelukast formulations CYSLTR1, CYSLTR2, SYMPK CYSLTR1 1/4885CYP2C8 2537/4885CYSLTR2 2/4885
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF TKT, DCXR, AKR1B1 CYSLTR1 3689/4885CYP2C8 787/4885CYSLTR2 3723/4885
US-20210393613-A1 TOPICAL MONTELUKAST FORMULATIONS CYSLTR1, CYSLTR2, SYMPK CYSLTR1 1/4885CYP2C8 2537/4885CYSLTR2 2/4885
US-12233055-B2 Topical Montelukast formulations CYSLTR1, CYSLTR2, SYMPK CYSLTR1 1/4885CYP2C8 2326/4885CYSLTR2 2/4885
US-20070208178-A1 Reacting the side-chain precursor 1-(mercaptomethyl)cyclopropaneacetic acid (not an ester) with 2-(2-(3S)-(3-(7-chloro-2-quinolinyl)-vinylphenyl)-3-(methanesulfonyloxypropyl)phenyl-2-propanol in a basic solvent mixture; forming an amine salt; and exchanging the amine cation with sodium; 99.5+% pure CYSLTR2, MPST, CMA1 CYSLTR1 4/4885CYP2C8 1092/4885CYSLTR2 1/4885
US-20070082925-A1 Method for the preparation of montelukast acid and sodium salt thereof in amorphous form LTA4H, DACH1, CMA1 CYSLTR1 5/4885CYP2C8 3876/4885CYSLTR2 7/4885
US-20220016028-A1 TOPICAL MONTELUKAST FORMULATIONS CYSLTR1, CYSLTR2, SYMPK CYSLTR1 1/4885CYP2C8 2537/4885CYSLTR2 2/4885

“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.

Send feedback