SCHEMBL534798

SCHEMBL534798

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VNN1 O95497 4/20 0.33
PI4KB Q9UBF8 1/20 0.32
SYK P43405 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDGFRB P09619 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL534048 0.91 PTGDR2 (0.49) PTGDR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL3785616 0.91 PTGDR2 (0.45) PTGDR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL534128 0.91 MAPT (0.35) PTGDR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL3783447 0.90 PTGDR2 (0.43) PTGDR2
SCHEMBL533981 0.88 ALDH1A1 (0.37) PTGDR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL3778423 0.87 PTGDR2 (0.41) PTGDR2PI4KBHTT
SCHEMBL2570601 0.86 PTGDR2 (0.40) PTGDR2ALDH1A1MAPTAR
SCHEMBL3776409 0.86 PTGDR2 (0.42) PTGDR2ALDH1A1HTT
SCHEMBL534031 0.84 PTGDR2 (0.59) PTGDR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL3781075 0.83 PTGDR2 (0.36) PTGDR2ALDH1A1KDM4ENPSR1HTT

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 PTGDR2 75/4885ALDH1A1 2924/4885KDM4E 4343/4885

“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.