SCHEMBL534128

SCHEMBL534128

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CETP P11597 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PDE5A O76074 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
VNN1 O95497 1/20 0.33
LMNA P02545 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
GPR6 P46095 1/20 0.32
PLA2G2A P14555 1/20 0.32
AKR1B1 P15121 1/20 0.32
AR P10275 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
SCHEMBL533998 0.91 PTGDR2 (0.40) MAPTKDM4EALDH1A1NPSR1CETP
SCHEMBL3781075 0.91 PTGDR2 (0.36) KDM4EALDH1A1NPSR1KMT2AHPGD
SCHEMBL534798 0.91 PTGDR2 (0.41) MAPTKDM4EALDH1A1NPSR1HPGD
SCHEMBL3772529 0.91 ALDH1A1 (0.38) MAPTKDM4EALDH1A1NPSR1KMT2A
SCHEMBL3776310 0.87 TSHR (0.38) KDM4EALDH1A1KMT2AGLAPTGDR2
SCHEMBL534082 0.87 ALDH1A1 (0.37) MAPTKDM4EALDH1A1NPSR1CETP
SCHEMBL2575021 0.87 PTGDR2 (0.33) MAPTKDM4EALDH1A1KMT2AHPGD
SCHEMBL534686 0.84 PTGDR2 (0.49) MAPTKDM4ECETPKMT2AGLA
SCHEMBL3783447 0.84 PTGDR2 (0.43) PTGDR2PLA2G2A
SCHEMBL3779488 0.83 ALDH1A1 (0.38) MAPTKDM4EALDH1A1NPSR1KMT2A

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 MAPT 3249/4885KDM4E 4343/4885ALDH1A1 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.