SCHEMBL4883265

SCHEMBL4883265

Oc1ccc(Br)cc1C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.54
BACE1 P56817 1/20 0.54
HSP90AA1 P07900 1/20 0.54
PTGDR Q13258 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ACMSD Q8TDX5 2/20 0.41
GFER P55789 1/20 0.41
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
CES2 O00748 1/20 0.38
GALR3 O60755 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL573920 1.00 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL959572 0.98 NUDT1 (0.51) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL15600247 0.94 NUDT1 (0.47) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL931388 0.90 ALOX15 (0.48) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL29106840 0.89 NUDT1 (0.46) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL1068254 0.80 NUDT1 (0.57) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL69755 0.80 NUDT1 (0.57) NUDT1BACE1HSP90AA1PTGDR2MEN1
SCHEMBL28899720 0.80 PTGDR (0.50) NUDT1BACE1HSP90AA1PTGDRPTGDR2
SCHEMBL19665789 0.78 ACMSD (0.59) NUDT1BACE1HSP90AA1ACMSDTHRB
SCHEMBL918287 0.78 ACMSD (0.59) NUDT1BACE1HSP90AA1ACMSDTHRB

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 NUDT1 2958/4885BACE1 3746/4885HSP90AA1 3462/4885

“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.