SCHEMBL1036347

SCHEMBL1036347

CC(C)C(CN)(C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
GGT1 P19440 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32

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
SCHEMBL8995125 0.82 GABRR1 (0.36) GABRR1KDM4ECYP1A2CYP2D6CACNA2D1
SCHEMBL9952000 0.76 ALDH1A1 (0.33) CYP1A2CYP2D6ARG1ARG2ADRA1A
Ammonia Solution, Strong SCHEMBL27560424 0.74 ALDH1A1 (0.32) CYP1A2CYP2D6ARG1ARG2
SCHEMBL1643768 0.74 CYP2C19 (0.46) KDM4ECYP1A2CYP2D6ADRA1A
SCHEMBL9342339 0.72 HDAC1 (0.33) CYP1A2ARG1ARG2ADRA1AGGT1
SCHEMBL29777967 0.72 ARG1 (0.50) GABRR1KDM4ECYP1A2CYP2D6ARG1
SCHEMBL136592 0.72 LMNA (0.42) CYP1A2OR51E2
SCHEMBL2142717 0.70 CYP1A2 (0.43) CYP1A2CYP2D6ARG1ARG2GABRP
SCHEMBL14809159 0.69 TSHR (0.48) OR51E2
SCHEMBL14809752 0.69 TSHR (0.48) OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046602-A Process for the preparation of montelukast intermediates SYNTHON BV 2011-05-04 CN disclosed
EP-2276739-A1 PROCESS FOR MAKING MONTELUKAST INTERMEDIATES Synthon B.V. (NL) 2011-01-26 EP disclosed
WO-2009130056-A1 PROCESS FOR MAKING MONTELUKAST INTERMEDIATES SYNTHON B.V. (NL) 2009-10-29 WO disclosed
US-20090270628-A1 PROCESS FOR MAKING MONTELUKAST INTERMEDIATES SYNTHON BV (NL) 2009-10-29 US disclosed
WO-2008034122-A2 HINDERED ESTER-BASED BIODEGRADABLE LINKERS FOR OLIGONUCLEOTIDE DELIVERY ENZON PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2008034119-A2 POLYALKYLENE OXIDES HAVING HINDERED ESTER-BASED BIODEGRADABLE LINKERS ENZON PHARMACEUTICALS, INC. (US) 2008-03-20 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-20090270628-A1 PROCESS FOR MAKING MONTELUKAST INTERMEDIATES LTB4R2, CYSLTR2, CYSLTR1 GABRR1 2243/4885KDM4E 4735/4885CYP1A2 81/4885

“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.