SCHEMBL534161

SCHEMBL534161

CCc1nc2c(F)ccc(OCC(=O)OC)c2c(O)c1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
VNN1 O95497 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
DHFR P00374 1/20 0.32
PDGFRB P09619 1/20 0.32
GHSR Q92847 1/20 0.32
APLNR P35414 1/20 0.32
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
AKR1B1 P15121 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL533959 0.88 PTGDR2 (0.46) PTGDR2ALDH1A1MAPTKDM4EDHFR
SCHEMBL534031 0.87 PTGDR2 (0.59) PTGDR2VNN1ALDH1A1MAPTKDM4E
SCHEMBL533981 0.84 ALDH1A1 (0.37) PTGDR2VNN1ALDH1A1MAPTKDM4E
SCHEMBL534798 0.79 PTGDR2 (0.41) PTGDR2VNN1ALDH1A1MAPTKDM4E
SCHEMBL534580 0.78 MRGPRX4 (0.35) PTGDR2ALDH1A1MAPTKDM4EEGLN1
SCHEMBL533926 0.78 PTGDR2 (0.70) PTGDR2ALDH1A1MAPTKDM4ENPSR1
SCHEMBL534686 0.78 PTGDR2 (0.49) PTGDR2MAPTKDM4ECYP11B1CYP11B2
SCHEMBL3772517 0.77 PTGDR2 (0.66) PTGDR2ALDH1A1MAPTKDM4ENPSR1
SCHEMBL534018 0.77 PTGDR2 (0.44) PTGDR2ALDH1A1GHSRL3MBTL1
SCHEMBL3782624 0.76 PTGDR2 (0.63) PTGDR2ALDH1A1MAPTKDM4EDHFR

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 75/4885VNN1 3862/4885ALDH1A1 2924/4885

“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.