SCHEMBL4882978

SCHEMBL4882978

CCOC(=O)COc1ccc(C#N)cc1C1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.73
PTGDR Q13258 6/20 0.54
PTGER2 P43116 1/20 0.48
ESR1 P03372 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 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
SCHEMBL17112942 0.94 PTGDR2 (0.63) PTGDR2PTGDRPTGER2KDM4EALDH1A1
SCHEMBL4881986 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGER2
SCHEMBL4882287 0.82 PTGDR2 (0.78) PTGDR2PTGDRPTGER2ALDH1A1HPGD
SCHEMBL4878416 0.81 PTGDR2 (0.74) PTGDR2PTGDRPTGER2ESR1KDM4E
SCHEMBL17113009 0.78 PTGDR2 (0.88) PTGDR2PTGDRPTGER2
SCHEMBL4876391 0.78 PTGDR2 (0.59) PTGDR2PTGDRPTGER2ESR1
SCHEMBL8716128 0.74 ALDH1A1 (0.48) PTGDR2ESR1ALDH1A1KMT2A
SCHEMBL14476311 0.73 MEN1 (0.47) KDM4EALDH1A1HPGDKMT2A
SCHEMBL1251594 0.72 GAA (0.62) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4885235 0.71 PTGDR2 (0.61) PTGDR2PTGDRPTGER2KMT2A

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.