SCHEMBL6328326

SCHEMBL6328326

O=C1OC(Oc2cccc(F)c2)C(Cl)=C1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DAO P14920 1/20 0.37
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
MEN1 O00255 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31

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
SCHEMBL6325470 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL6323568 0.82 ACHE (0.41) SLC6A2SLC6A4SLC6A3KMT2AMAPT
SCHEMBL6326740 0.80 NSD2 (0.37) KMT2AMAPTHTT
SCHEMBL414388 0.66 KMT2A (0.35) KMT2AMAPTHTT
SCHEMBL7235082 0.64 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KMT2AMGLL
SCHEMBL10364397 0.64 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL7154266 0.64 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL14505730 0.63 KDM4E (0.40) KMT2AMAPTHTT
SCHEMBL14505734 0.63 ALDH1A1 (0.31) KMT2AMAPT
SCHEMBL28454908 0.62

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005026141-A2 PROCESS FOR PREPARATION OF SUBSTITUTED BUTENOLIDES VIA PALLADIUM-FREE ETHERIFICATION AND AMINATION OF MASKED MUCOHALIC ACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
US-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids BLAZECKA PETER GARTH (CA) 2005-03-17 US claimed
WO-2005026141-A2 PROCESS FOR PREPARATION OF SUBSTITUTED BUTENOLIDES VIA PALLADIUM-FREE ETHERIFICATION AND AMINATION OF MASKED MUCOHALIC ACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids BLAZECKA PETER GARTH (CA) 2005-03-17 US 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-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids DBH, OR51E2, OR10J3 SLC6A2 2093/4885SLC6A4 2270/4885SLC6A3 697/4885

“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.