SCHEMBL3778486

SCHEMBL3778486

CCC(=O)C(Cc1ccc(F)cc1F)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.40
RIPK1 Q13546 2/20 0.39
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
GSK3B P49841 1/20 0.37
BACE1 P56817 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PDE10A Q9Y233 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL3778025 0.86 CYP3A4 (0.38) ALDH1A1MAPT
SCHEMBL3784948 0.86 L3MBTL1 (0.44) ALDH1A1PKMPOLBMAPT
SCHEMBL6317677 0.86 MAOB (0.45) ALDH1A1TDP1MAOBRIPK1PKM
SCHEMBL19046405 0.80 ALDH1A1 (0.49) ALDH1A1TDP1MAOBRIPK1POLB
SCHEMBL3779421 0.80 NOS2 (0.48) TDP1
SCHEMBL1613106 0.78 DPP4 (0.46) ALDH1A1TDP1MAOBIDO1AGXT
SCHEMBL6327566 0.78 DPP4 (0.46) ALDH1A1TDP1MAOBIDO1AGXT
SCHEMBL10585341 0.78 DPP4 (0.46) ALDH1A1TDP1MAOBIDO1AGXT
SCHEMBL7355560 0.78 RIPK1 (0.43) ALDH1A1TDP1MAOBRIPK1PKM
Hydrochloric Acid SCHEMBL1613104 0.77 IDO1 (0.45) ALDH1A1TDP1MAOBIDO1AGXT

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 4201/4885TDP1 4824/4885MAOB 2935/4885

“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.