SCHEMBL4883830

SCHEMBL4883830

CC(=O)Oc1ccc(C)cc1C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.64
PTGDR Q13258 6/20 0.45
PTGER2 P43116 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14775412 0.89 PTGDR2 (0.66) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL9479024 0.85 PTGDR2 (0.54) PTGDR2PTGDRPTGER2KDM4E
SCHEMBL4888059 0.84 PTGDR2 (0.64) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL4886147 0.84 PTGDR2 (0.63) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL9477820 0.83 PTGDR2 (0.52) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL4879223 0.82 PTGDR2 (0.62) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL10350763 0.80 PTGDR2 (0.61) PTGDR2PTGDRPTGER2NPC1RAB9A
SCHEMBL10738737 0.80 LMNA (0.46) PTGDR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1793106 0.80 PTGDR2 (0.59) PTGDR2ALDH1A1KDM4E
SCHEMBL10534970 0.79 PTGDR2 (0.60) PTGDR2PTGDRNPC1RAB9AALDH1A1

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
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 claimed
EP-1756032-A1 CRTH2 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-02-28 EP claimed
WO-2005105727-A1 CRTH2 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-11-10 WO claimed
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.