SCHEMBL534859

SCHEMBL534859

CCOC(=O)C(Cc1ccc(C(C)=O)cc1)C(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MMP8 P22894 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.41
EPHX2 P34913 6/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
ACACB O00763 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL2574638 0.85 MMP8 (0.46) ALDH1A1TSHRMMP8SMN1; SMN2EPHX2
SCHEMBL2576453 0.84 MMP8 (0.45) ALDH1A1TSHRMMP8SMN1; SMN2EPHX2
SCHEMBL3784871 0.83 PPARG (0.49) ALDH1A1MMP8KMT2AEPHX2PPARG
SCHEMBL534123 0.83 MMP8 (0.52) ALDH1A1MMP8SMN1; SMN2KMT2ATP53
SCHEMBL534033 0.83 EPHX2 (0.49) ALDH1A1TSHRMMP8SMN1; SMN2KMT2A
SCHEMBL2570738 0.82 LDHA (0.61) ALDH1A1TSHRMMP8SMN1; SMN2KMT2A
SCHEMBL1312803 0.80 MMP8 (0.62) ALDH1A1TSHRMMP8SMN1; SMN2KMT2A
SCHEMBL29107370 0.80 KMT2A (0.48) ALDH1A1TSHRMMP8SMN1; SMN2KMT2A
SCHEMBL15647978 0.79 PPARG (0.53) ALDH1A1MMP8KMT2AEPHX2PPARG
SCHEMBL3780615 0.79 MMP8 (0.46) ALDH1A1MMP8TP53NPY1RNPY2R

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
CN-101679359-B Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2013-03-06 CN disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
CN-101715441-A Quinoline derivatives as CRTH2 receptor ligands ARGENTA DISCOVERY LTD 2010-05-26 CN disclosed
CN-101679359-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO 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 (3 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 2924/4885TSHR 447/4885MMP8 2193/4885
US-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 ALDH1A1 2398/4885TSHR 164/4885MMP8 2397/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 ALDH1A1 2074/4885TSHR 158/4885MMP8 2720/4885

“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.