SCHEMBL4886176

SCHEMBL4886176

CC1(c2cc(Br)ccc2OCC(=O)O)CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.73
PTGDR Q13258 2/20 0.73
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
WDR5 P61964 3/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4882941 0.85 PTGDR2 (0.54) PTGDR2PTGDRPOLBTSHRL3MBTL1
SCHEMBL7786872 0.79 CCR5 (0.50) PTGDR2PTGDRALDH1A1
SCHEMBL17847413 0.77 PTGDR (0.44) PTGDR2PTGDRPOLBTSHRTDP1
SCHEMBL5827697 0.77 RARA (0.50) PTGDR2PTGDRTSHRTDP1ALDH1A1
SCHEMBL22745964 0.75 KDM4E (0.45) PTGDR2PTGDRTDP1WDR5ALDH1A1
SCHEMBL6619470 0.74 PTGDR2 (0.42) PTGDR2PTGDRTDP1ALDH1A1HPGD
SCHEMBL28923600 0.74 HDAC11 (0.52) PTGDR2PTGDRPOLBTSHRCTDSP1
SCHEMBL3198632 0.72 PTGDR2 (0.67) PTGDR2PTGDRPOLBTSHRCTDSP1
SCHEMBL1615073 0.72 PKM (0.70) PTGDR2PTGDRPOLBTSHRCTDSP1
SCHEMBL4883529 0.72 RARB (0.48) PTGDR2PTGDRPOLBTSHRL3MBTL1

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 151/4885POLB 2275/4885

“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.