SCHEMBL4885231

SCHEMBL4885231

CCOC(=O)C(C)Oc1ccc(Br)cc1C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.56
PTGDR Q13258 3/20 0.56
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PPOX P50336 1/20 0.42
NR5A1 Q13285 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL4879185 0.86 PTGDR2 (0.74) PTGDR2PTGDRKDM4EALDH1A1HPGD
SCHEMBL21059447 0.81 PTGDR2 (0.67) PTGDR2PTGDRLMNAKMT2ANPSR1
SCHEMBL21059445 0.81 PTGDR2 (0.67) PTGDR2PTGDRLMNAKMT2ANPSR1
SCHEMBL28444727 0.80 PTGDR2 (0.65) PTGDR2PTGDRLMNAKMT2ANPSR1
SCHEMBL28444725 0.80 PTGDR2 (0.65) PTGDR2PTGDRLMNAKMT2ANPSR1
SCHEMBL30287858 0.79 PTGDR2 (0.51) PTGDR2PTGDRKDM4EALDH1A1LMNA
SCHEMBL21059486 0.78 PTGDR2 (0.62) PTGDR2PTGDRALDH1A1LMNAMEN1
SCHEMBL21059483 0.78 PTGDR2 (0.62) PTGDR2PTGDRALDH1A1LMNAMEN1
SCHEMBL11511981 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL4885235 0.78 PTGDR2 (0.61) PTGDR2PTGDRLMNAMEN1MAPK1

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 151/4885KDM4E 225/4885

“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.