SCHEMBL534098

SCHEMBL534098

CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
IDH1 O75874 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 5/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3779072 0.90 LMNA (0.37) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL3777589 0.86 TSHR (0.40) ALDH1A1KDM4ELMNAHPGDMAPK1
SCHEMBL2571353 0.85 HPGD (0.34) ALDH1A1KDM4ELMNAHPGDMAPK1
SCHEMBL2570600 0.85 LMNA (0.33) ALDH1A1KDM4ELMNAHPGDMAPK1
SCHEMBL3776986 0.83 HPGD (0.41) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL3779428 0.81 PTGDR2 (0.36) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL2573441 0.81 PTGDR2 (0.46) KDM4E
SCHEMBL3779461 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL3778014 0.78 LMNA (0.38) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL3780902 0.78 PTGDR (0.37) ALDH1A1KDM4EMAPTLMNAHPGD

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.