SCHEMBL3779020

SCHEMBL3779020

COC(=O)COc1ccc(F)c2[nH]c(=O)c(Cc3ccc(F)cc3F)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGER2 P43116 6/20 0.35
P2RX7 Q99572 1/20 0.34
MAPK14 Q16539 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
PPARA Q07869 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
SCHEMBL3781883 0.92 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3776006 0.91 PTGDR (0.39) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3778865 0.87 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3773003 0.87 KDM4E (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3778224 0.83 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDPTGS1
SCHEMBL3351461 0.82 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3778049 0.82 TSHR (0.40) ALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL3348846 0.79 TSHR (0.36) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL3782767 0.79 PTGS1 (0.41) KDM4EPTGS1PTGS2P2RX7MAPK14
SCHEMBL2575735 0.79 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGDHSD17B10

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 4201/4885MAPT 4787/4885KDM4E 4638/4885

“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.