SCHEMBL4878435

SCHEMBL4878435

Oc1ccc(Cl)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
PTGDR2 Q9Y5Y4 8/20 0.51
PTGDR Q13258 5/20 0.51
PTGER2 P43116 1/20 0.51
THRB P10828 1/20 0.46
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GCGR P47871 1/20 0.42
IDO1 P14902 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SENP1 Q9P0U3 1/20 0.41
AGTR1 P30556 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL561154 1.00 NUDT1 (0.54) NUDT1BACE1HSP90AA1PTGDR2PTGDR
Water SCHEMBL6531551 0.98 NUDT1 (0.53) NUDT1BACE1HSP90AA1PTGDR2PTGDR
SCHEMBL29729512 0.98 HSP90AA1 (0.51) NUDT1BACE1HSP90AA1PTGDR2PTGDR
SCHEMBL560750 0.98 HSP90AA1 (0.51) NUDT1BACE1HSP90AA1PTGDR2PTGDR
Potassium SCHEMBL29827419 0.96 HSP90AA1 (0.54) NUDT1BACE1HSP90AA1PTGDR2PTGDR
Parachlorophenol SCHEMBL7605939 0.93 NUDT1 (0.49) NUDT1BACE1HSP90AA1PTGDR2PTGDR
SCHEMBL12611071 0.90 HSD17B10 (0.48) NUDT1BACE1HSP90AA1PTGDR2PTGDR
SCHEMBL27851437 0.85 PTGDR2 (0.48) NUDT1BACE1HSP90AA1PTGDR2PTGDR
SCHEMBL3795015 0.82 CHRNB2 (0.55) PTGDR2PTGDRPTGER2TSHRGCGR
SCHEMBL1104983 0.81 QDPR (0.51) TSHRHSD17B10MEN1KMT2AMAPK1

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.