SCHEMBL3779428

SCHEMBL3779428

CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.36
PTGDR Q13258 1/20 0.36
PTGS2 P35354 1/20 0.35
SLC2A1 P11166 1/20 0.35
P2RX3 P56373 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
CMA1 P23946 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PLA2G2A P14555 1/20 0.33
JAK2 O60674 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 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
SCHEMBL3779461 0.93 ALDH1A1 (0.41) PTGDR2ALDH1A1MAPTKDM4EPLA2G2A
SCHEMBL2573624 0.91 ALDH1A1 (0.34) PTGDR2ALDH1A1MAPTLMNAKDM4E
SCHEMBL2575631 0.91 ERAP1 (0.35) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL3779072 0.91 LMNA (0.37) PTGDR2PTGDRPTGS2P2RX3ALDH1A1
SCHEMBL534053 0.91 MAOB (0.34) PTGDR2ALDH1A1MAPTLMNAKDM4E
SCHEMBL3779431 0.89 PTGDR2 (0.37) PTGDR2PTGS2ALDH1A1MAPTCMA1
SCHEMBL3776184 0.89 TSHR (0.36) PTGDR2ALDH1A1MAPTCMA1KDM4E
SCHEMBL3783224 0.88 SLC2A1 (0.43) PTGDR2PTGDRPTGS2SLC2A1P2RX3
SCHEMBL2570634 0.88 PDE2A (0.38) SMN1; SMN2
SCHEMBL3775253 0.88 PTGDR (0.38) PTGDR2PTGDRALDH1A1MAPTLMNA

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 PTGDR2 146/4885PTGDR 82/4885PTGS2 821/4885

“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.