SCHEMBL6325401

SCHEMBL6325401

O=C1OC(Oc2cc(Cl)cc(Cl)c2)C(Cl)=C1Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SOD1 P00441 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6326740 0.80 NSD2 (0.37) KDM4EPOLBALDH1A1
SCHEMBL6328326 0.76 SLC6A2 (0.39)
SCHEMBL414388 0.72 KMT2A (0.35) POLBALDH1A1
SCHEMBL14505730 0.69 KDM4E (0.40) KDM4EPOLBALDH1A1
SCHEMBL15171472 0.66 NFE2L2 (0.42) CYP2C19
SCHEMBL14505731 0.64 ALDH1A1 (0.51) POLBALDH1A1
SCHEMBL14505732 0.64 KMT2A (0.50) POLBALDH1A1
SCHEMBL14505734 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6153909 0.62 CCKBR (0.59) CYP2C19ALDH1A1
SCHEMBL14505735 0.61 ALDH1A1 (0.33) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2C19 65/4885KDM4E 1860/4885SOD1 2807/4885

“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.