SCHEMBL6345642

SCHEMBL6345642

O=C1C=CC(=O)N1Cc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.57
▸ FAAH O00519 2/20 0.57
▸ GSK3A P49840 3/20 0.49
▸ GSK3B P49841 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ CTRB1 P17538 1/20 0.39
▸ LCK P06239 1/20 0.37
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ DAO P14920 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
SCHEMBL5072436 0.84 MGLL (0.63) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL28752497 0.82 MGLL (0.61) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL32665316 0.76 MGLL (0.57) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL146412 0.74 MGLL (1.00) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL4804503 0.74 MGLL (0.78) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL6339922 0.73 COMT (0.42) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL7224603 0.71 MGLL (0.60) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL140975 0.71 MGLL (0.72) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL11268814 0.70 HRH3 (0.53) —
SCHEMBL12784728 0.69 MGLL (0.63) MGLLFAAHGSK3AGSK3BPTGS1

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
US-6903114-B2 Derivatives of naphthalene with COMT inhibiting activity ORION CORPORATION (FI) 2005-06-07 — — US disclosed
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity ORION CORPORATION (FI) 2004-02-19 — — US disclosed
EP-1317411-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-06-11 — — EP disclosed
WO-2002022551-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-03-21 — — WO 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-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity COMT, CYP1A1, CYP1B1 MGLL 3134/4885FAAH 1356/4885GSK3A 2328/4885

“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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