SCHEMBL533981

SCHEMBL533981

COC(=O)COc1ccc(F)c2nc(O)c(Cc3ccc(C#N)cc3)c(C)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
SYK P43405 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
VNN1 O95497 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
AR P10275 1/20 0.33
PDGFRB P09619 1/20 0.33
POLB P06746 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL534082 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL534798 0.88 PTGDR2 (0.41) ALDH1A1KDM4EMAPTNPSR1PTGDR2
SCHEMBL534161 0.84 PTGDR2 (0.44) ALDH1A1KDM4EMAPTNPSR1PTGDR2
SCHEMBL533928 0.80 AR (0.40) CYP11B1CYP11B2ARSAE1UBA2
SCHEMBL534031 0.78 PTGDR2 (0.59) ALDH1A1KDM4EMAPTNPSR1PTGDR2
SCHEMBL534048 0.78 PTGDR2 (0.49) ALDH1A1KDM4EMAPTNPSR1PTGDR2
SCHEMBL534128 0.78 MAPT (0.35) ALDH1A1KDM4EMAPTNPSR1PTGDR2
SCHEMBL3785616 0.78 PTGDR2 (0.45) ALDH1A1KDM4EMAPTNPSR1PTGDR2
SCHEMBL3783447 0.77 PTGDR2 (0.43) PTGDR2
SCHEMBL534018 0.75 PTGDR2 (0.44) ALDH1A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
WO-2008119917-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2008-10-09 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-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS NR1H2, GPR52, HRH2 ALDH1A1 2924/4885KDM4E 4343/4885MAPT 3249/4885

“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.