SCHEMBL2481338

SCHEMBL2481338

COc1ccc(C(=O)OCC2CC2CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ESR2 Q92731 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
GAA P10253 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL5498052 0.77 CA1 (0.55) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL13498610 0.77 CA1 (0.55) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL17233757 0.75 CA1 (0.51) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL18461191 0.75 SMN1; SMN2 (0.54) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL7991911 0.74 SMN1; SMN2 (0.48) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL7994325 0.74 SMN1; SMN2 (0.48) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL7979731 0.74 SMN1; SMN2 (0.51) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL7997324 0.74 SMN1; SMN2 (0.51) CA1CA2ESR2MAPTSMN1; SMN2
SCHEMBL13286850 0.73 PPM1B (0.56) ALDH1A1NPC1CES2
SCHEMBL11985689 0.72 MAPT (0.73) GSK3BCA1CA2ESR2MAPT

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
EP-2181986-B1 Process for the preparation of a precursor of montelukast SYNTHON BV (NL) 2011-10-19 EP disclosed
US-7501517-B2 Process for making montelukast and intermediates therefor SYNTHON IP, INC. (US) 2009-03-10 US disclosed
US-20050245569-A1 Process for making montelukast and intermediates therefor SYNTHON IP INC. 2005-11-03 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-20050245569-A1 Process for making montelukast and intermediates therefor LTA4H, CYP4A11, LTC4S GSK3B 2400/4885CA1 3566/4885CA2 2729/4885

“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.