SCHEMBL6350545

SCHEMBL6350545

O=C1OCC(c2cccc(Cl)c2)=C1c1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
CYP19A1 P11511 1/20 0.51
PTGS1 P23219 4/20 0.48
PTGS2 P35354 3/20 0.47

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
SCHEMBL22246053 0.84 KMT2A (0.44) KMT2ACYP19A1PTGS1PTGS2
SCHEMBL3246743 0.83 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL22246013 0.82 KMT2A (0.41) KMT2ACYP19A1PTGS1PTGS2
SCHEMBL27501282 0.82 KMT2A (0.45) KMT2ACYP19A1PTGS1PTGS2
SCHEMBL6722634 0.81 PTGS2 (0.60) CYP19A1PTGS1PTGS2
SCHEMBL6721635 0.81 PTGS1 (0.51) CYP19A1PTGS1PTGS2
SCHEMBL6734949 0.80 PTGS1 (0.50) KMT2APTGS1PTGS2
SCHEMBL6736287 0.80 PTGS2 (0.59) PTGS1PTGS2
SCHEMBL9193159 0.79 PTGS1 (0.46) CYP19A1PTGS1
SCHEMBL6338495 0.79 KMT2A (0.56) KMT2ACYP19A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050131239-A1 Preparation of aryl-substituted butenolides using mucohalic acids BLAZECKA PETER G (CA) 2005-06-16 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-20050131239-A1 Preparation of aryl-substituted butenolides using mucohalic acids DBH, BBOX1, ALG1 KMT2A 2848/4885CYP19A1 935/4885PTGS1 2821/4885

“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.