SCHEMBL3780902

SCHEMBL3780902

CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
CMA1 P23946 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
ACLY P53396 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
SCHEMBL3775253 0.95 PTGDR (0.38) PTGDRPTGDR2ALDH1A1MAPK1KDM4E
SCHEMBL3782626 0.90 TDP1 (0.38) PTGDRPTGDR2ALDH1A1MAPK1KDM4E
SCHEMBL3778224 0.86 ALDH1A1 (0.37) ALDH1A1MAPK1KDM4EHPGDLMNA
SCHEMBL3778409 0.86 ALDH1A1 (0.39) PTGDRPTGDR2ALDH1A1MAPK1KDM4E
SCHEMBL3779072 0.85 LMNA (0.37) PTGDRPTGDR2ALDH1A1MAPK1KDM4E
SCHEMBL3779428 0.83 PTGDR2 (0.36) PTGDRPTGDR2ALDH1A1MAPK1KDM4E
SCHEMBL3777868 0.82 TSHR (0.39) PTGDR2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL3780979 0.80 HPGD (0.40) HPGDL3MBTL1
SCHEMBL2571353 0.79 HPGD (0.34) ALDH1A1MAPK1KDM4EHPGDLMNA
SCHEMBL3776006 0.78 PTGDR (0.39) PTGDRPTGDR2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 PTGDR 82/4885PTGDR2 146/4885ALDH1A1 4201/4885

“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.