SCHEMBL534055

SCHEMBL534055

Cc1c(Cc2ccc(C#N)cc2)c(O)nc2c(Cl)ccc(O)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
CYP19A1 P11511 6/20 0.35
ALOX5 P09917 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
SLC5A2 P31639 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
IDH1 O75874 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2A6 P11509 1/20 0.33
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL533928 0.86 AR (0.40) ARCYP19A1LOXL2IDH1CYP11B1
SCHEMBL533987 0.84 AR (0.36) ARCYP19A1ALOX5SLC5A2
SCHEMBL534082 0.80 ALDH1A1 (0.37) CYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL3775557 0.76 KMT2A (0.40) ALOX5
SCHEMBL3771921 0.73 CCNE2 (0.39) ALOX5
SCHEMBL534061 0.71 AR (0.36) ARCYP19A1LOXL2SLC5A2
SCHEMBL3777824 0.71 PTGS2 (0.37) ALOX5HSP90AA1
SCHEMBL533986 0.70 AR (0.36) ARDCTPP1
SCHEMBL3777905 0.68 AR (0.39) AR
SCHEMBL533981 0.67 ALDH1A1 (0.37) ARCYP11B1CYP11B2SAE1UBA2

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 AR 1091/4885CYP19A1 3165/4885ALOX5 1258/4885

“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.