SCHEMBL4882270

SCHEMBL4882270

O=C(O)COc1ccc(Br)cc1C1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 1.00
PTGDR Q13258 6/20 1.00
PTGER2 P43116 1/20 0.71
WDR5 P61964 3/20 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
SCHEMBL4882946 1.00 PTGDR2 (1.00) PTGDR2PTGDRPTGER2WDR5
SCHEMBL21060488 0.93 PTGDR2 (0.86) PTGDR2PTGDRPTGER2WDR5
SCHEMBL4883828 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4886140 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4875122 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4888054 0.83 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4879219 0.82 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL10733982 0.81 PTGDR2 (0.68) PTGDR2PTGDRPTGER2WDR5
SCHEMBL4885675 0.81 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4881986 0.80 PTGDR2 (1.00) PTGDR2PTGDRPTGER2

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-20080269335-A1 2-(4-Chloro-2-cyclohexylphenoxy)propionic acid; (4-Bromo-2-cyclohexylphenoxy)propionic acid ethyl ester; ethyl-2-bromopropionate is reacted with 4-chloro-2-cyclohexylphenol in presence of cesium carbonate and N,N-dimethylfomamide; antiallergenic and antiinflammatory agent NOVARTIS AG (CH) 2008-10-30 US disclosed
EP-1756032-A1 CRTH2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-02-28 EP disclosed
WO-2005105727-A1 CRTH2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-11-10 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-20080269335-A1 2-(4-Chloro-2-cyclohexylphenoxy)propionic acid; (4-Bromo-2-cyclohexylphenoxy)propionic acid ethyl ester; ethyl-2-bromopropionate is reacted with 4-chloro-2-cyclohexylphenol in presence of cesium carbonate and N,N-dimethylfomamide; antiallergenic and antiinflammatory agent EPX, NR3C2, FPR2 PTGDR2 245/4885PTGDR 151/4885PTGER2 50/4885

“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.