SCHEMBL6326740

SCHEMBL6326740

O=C1OC(Oc2ccccc2)C(Cl)=C1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CCKBR P32239 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
KMT2A Q03164 7/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 8/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL6328326 0.80 SLC6A2 (0.39) KMT2AMAPTHTT
SCHEMBL6325401 0.80 CYP2C19 (0.31) ALDH1A1KDM4EPOLB
SCHEMBL9455633 0.74 ALDH1A1 (0.50) CTSVCTSLCTSBCTSHCTSS
SCHEMBL30104899 0.74 CCKBR (0.38) CCKBRCTSBTHRBMAPK1MAPT
SCHEMBL29822108 0.70 CTSV (0.36) CTSVCTSLCTSBCTSHCTSS
SCHEMBL1057155 0.67 ALDH1A1 (0.55) KMT2AMAPK1MAPTALDH1A1HTT
SCHEMBL30104857 0.67 CTSV (0.33) CTSVCTSLCTSBCTSHCTSS
SCHEMBL14505731 0.65 ALDH1A1 (0.51) CCKBRKMT2ATHRBMAPK1MAPT
SCHEMBL14505732 0.65 KMT2A (0.50) CCKBRKMT2ATHRBMAPK1MAPT
SCHEMBL14505734 0.65 ALDH1A1 (0.31) KMT2AMAPTALDH1A1HSD17B10

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
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
CN-115583927-B Thioether compound, and preparation method and application thereof 华南师范大学 2024-07-12 CN disclosed
CN-115583927-A Thioether compound and preparation method and application thereof 华南师范大学 2023-01-10 CN disclosed
CN-109651310-B N-furanone aryl sulfonyl hydrazide derivative and preparation method and application thereof 华南师范大学 2022-07-22 CN disclosed
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 NSD2 1372/4885HSP90AA1 2402/4885HKDC1 4170/4885

“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.