SCHEMBL3778409

SCHEMBL3778409

CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 2/20 0.34
PDE7A Q13946 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3782626 0.94 TDP1 (0.38) ALDH1A1LMNAHPGDHTTHSD17B10
SCHEMBL3778224 0.92 ALDH1A1 (0.37) ALDH1A1LMNAHPGDP2RX7KDM4E
SCHEMBL3775253 0.89 PTGDR (0.38) ALDH1A1LMNAHPGDKDM4EMAPK1
SCHEMBL3777868 0.89 TSHR (0.39) ALDH1A1LMNAHPGDHTTKDM4E
SCHEMBL3780979 0.86 HPGD (0.40) HPGDHSD17B10SLC6A4L3MBTL1
SCHEMBL3780902 0.86 PTGDR (0.37) ALDH1A1LMNAHPGDKDM4EMAPK1
SCHEMBL3779461 0.85 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL3781667 0.84 F10 (0.39) PTGDRPTGDR2POLBNPC1RAB9A
SCHEMBL3779428 0.84 PTGDR2 (0.36) ALDH1A1LMNAHPGDHTTKDM4E
SCHEMBL3781883 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHPGDHTTHSD17B10

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 ALDH1A1 4201/4885LMNA 3732/4885HPGD 1772/4885

“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.