SCHEMBL3773871

SCHEMBL3773871

CC(=O)C(Cc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SLC6A4 P31645 1/20 0.50
ACACB O00763 1/20 0.50
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
BRD4 O60885 1/20 0.48
MDM2 Q00987 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LDHA P00338 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15454448 0.98 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL5774507 0.94 PPARG (0.53) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL9317096 0.91 LDHA (0.52) ACACBMDM2KMT2ALMNALDHA
SCHEMBL3778897 0.89 ACACB (0.43) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL901733 0.86 EPHX2 (0.50) ACACBPPARGPPARAHTTLMNA
SCHEMBL6712771 0.84 PPARG (0.59) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL3775578 0.83 CYP3A4 (0.40) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL8619631 0.83 CYP3A4 (0.47) SLC6A2SLC6A3ACACBPPARGPPARA
SCHEMBL13235901 0.83 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL12188513 0.83 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4ACACBPPARG

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 7 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
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO 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 (2 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 SLC6A2 2280/4885SLC6A3 2115/4885SLC6A4 3217/4885
US-20080221129-A1 New compounds SCD, SCD5, FASN SLC6A2 2535/4885SLC6A3 3163/4885SLC6A4 2723/4885

“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.