SCHEMBL4882941

SCHEMBL4882941

CCOC(=O)COc1ccc(Br)cc1C1(C)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.54
PTGDR Q13258 2/20 0.54
POLB P06746 3/20 0.44
PABPC1 P11940 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ALDH1A1 P00352 9/20 0.44
HPGD P15428 6/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
CASP6 P55212 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL4886176 0.85 PTGDR2 (0.73) PTGDR2PTGDRPOLBALDH1A1HPGD
SCHEMBL17847413 0.79 PTGDR (0.44) PTGDR2PTGDRPOLBALDH1A1HPGD
SCHEMBL16559854 0.78 ALDH1A1 (0.55) PTGDR2POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL4517104 0.76 MEN1 (0.57) PTGDR2POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL27642138 0.75 ALDH1A1 (0.52) PTGDR2POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL5106323 0.74 ALDH1A1 (0.65) PTGDR2POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL27623122 0.74 POLB (0.51) PTGDR2POLBPABPC1APOBEC3AAPOBEC3G
SCHEMBL4303747 0.74 ALDH1A1 (0.65) POLBPABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL5827697 0.73 RARA (0.50) PTGDR2PTGDRALDH1A1KDM4EMEN1
SCHEMBL1997089 0.73 PTGDR2 (0.69) PTGDR2POLBPABPC1APOBEC3AAPOBEC3G

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.