SCHEMBL5095397

SCHEMBL5095397

CCCCCc1cc(O)c2c(c1)OC(=O)C1CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.48
▸ CNR2 P34972 5/20 0.47
▸ CNR1 P21554 5/20 0.47
▸ KDR P35968 1/20 0.44

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
SCHEMBL279758 1.00 OPRM1 (0.48) OPRM1CNR2CNR1KDR
SCHEMBL4700951 1.00 OPRM1 (0.48) OPRM1CNR2CNR1KDR
SCHEMBL13952884 0.79 OPRM1 (0.49) OPRM1CNR2CNR1KDR
SCHEMBL4703155 0.78 CNR2 (0.35) OPRM1CNR2CNR1
SCHEMBL275356 0.78 CNR2 (0.35) OPRM1CNR2CNR1
SCHEMBL279652 0.78 CNR2 (0.35) OPRM1CNR2CNR1
SCHEMBL5097829 0.78 CNR2 (0.35) OPRM1CNR2CNR1
SCHEMBL279756 0.78 CNR2 (0.35) OPRM1CNR2CNR1
SCHEMBL13952883 0.77 CNR1 (0.48) OPRM1CNR2CNR1
SCHEMBL16298825 0.76 STS (0.39) CNR2CNR1

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-20080312224-A1 Oxaphenanthrene Derivatives MERCK PATENT GMBH (DE) 2008-12-18 — — 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-20080312224-A1 Oxaphenanthrene Derivatives CYP3A43, CYP1A1, CYP1A2 OPRM1 281/4885CNR2 1588/4885CNR1 1123/4885

“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.

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