SCHEMBL534082

SCHEMBL534082

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 1/20 0.36
CETP P11597 3/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
LMNA P02545 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDE5A O76074 3/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
AKR1B1 P15121 1/20 0.34
GAA P10253 3/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL533981 0.89 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL534128 0.87 MAPT (0.35) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL3771049 0.81 LMNA (0.39) ALDH1A1KDM4ENPSR1KMT2AHPGD
SCHEMBL3777723 0.80 TSHR (0.39) ALDH1A1KDM4EKMT2AGLALMNA
SCHEMBL534055 0.80 AR (0.36) HSP90AA1HSP90B1CYP11B1CYP11B2
SCHEMBL3779603 0.78 KDM4E (0.39) ALDH1A1KDM4ENPSR1KMT2AHPGD
SCHEMBL534686 0.78 PTGDR2 (0.49) MAPTKDM4EKMT2AHPGDGLA
SCHEMBL533998 0.78 PTGDR2 (0.40) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL3781075 0.77 PTGDR2 (0.36) ALDH1A1KDM4ENPSR1KMT2AHPGD
SCHEMBL534798 0.77 PTGDR2 (0.41) ALDH1A1MAPTKDM4ENPSR1HPGD

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 2924/4885MAPT 3249/4885KDM4E 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.