SCHEMBL4882683

SCHEMBL4882683

COc1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.56
NUDT1 P36639 1/20 0.50
BACE1 P56817 1/20 0.50
HSP90AA1 P07900 1/20 0.50
THRB P10828 3/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL4608591 0.86 PTGDR2 (0.52) PTGDR2THRBMEN1KMT2AKDM4E
SCHEMBL10597059 0.86 THRB (0.58) PTGDR2NUDT1BACE1HSP90AA1THRB
SCHEMBL4609520 0.84 PTGDR2 (0.50) PTGDR2THRBMEN1KMT2AKDM4E
SCHEMBL6616630 0.81 PTGDR2 (0.54) PTGDR2MEN1KMT2AALDH1A1MAPT
Acetic Acid SCHEMBL27702447 0.80 PTGDR2 (0.56) PTGDR2THRBMEN1KMT2AALDH1A1
SCHEMBL20103281 0.79 PTGDR2 (0.52) PTGDR2MEN1KMT2ANOS3NOS1
SCHEMBL21157883 0.77 PTGDR2 (0.50) PTGDR2THRBMEN1KMT2AKDM4E
SCHEMBL27339809 0.77 PTGDR2 (0.50) PTGDR2MEN1KMT2AALDH1A1MAPT
SCHEMBL3139821 0.77 PTGDR2 (0.50) PTGDR2MEN1KMT2AALDH1A1NOS3
SCHEMBL11369877 0.77 PTGDR2 (0.50) PTGDR2MEN1KMT2ANOS3NOS1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321257-A Potentiated medicaments JOHNSON & JOHNSON (US) 1982-03-23 US claimed
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
CN-1950323-A CRTH2 receptor antagonists NOVARTIS AG (CH) 2007-04-18 CN 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
US-4474748-A ANTIBIOTICS, FUNGICIDES, ANTISEPTICS JOHNSON & JOHNSON (US) 1984-10-02 US disclosed
US-4321257-A Potentiated medicaments JOHNSON & JOHNSON (US) 1982-03-23 US disclosed
US-4197318-A CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS JOHNSON & JOHNSON (US) 1980-04-08 US disclosed
US-4091090-A PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS JOHNSON & JOHNSON (US) 1978-05-23 US disclosed
US-4006218-A MICROBIOCIDE JOHNSON & JOHNSON (US) 1977-02-01 US 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 245/4885NUDT1 2958/4885BACE1 3746/4885

“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.