SCHEMBL3517704

SCHEMBL3517704

CC1(C)OB(c2ccc(CCc3ccncc3)cc2)OC1(C)C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 13/20 0.67
▸ LPL P06858 12/20 0.67
▸ F11 P03951 2/20 0.54
▸ ESR2 Q92731 1/20 0.47
▸ F2 P00734 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42

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
SCHEMBL10006068 0.89 LIPG (0.81) LIPGLPLF11ESR2F2
SCHEMBL2020310 0.84 LPL (0.51) LIPGLPLF11CA1CA2
SCHEMBL321437 0.83 LPL (0.53) LIPGLPLF11ESR2CA1
SCHEMBL15025955 0.82 LIPG (0.86) LIPGLPLF11ESR2F2
SCHEMBL13974429 0.82 LPL (0.49) LIPGLPLF11ESR2
SCHEMBL19729193 0.81 LIPG (0.69) LIPGLPLF11ESR2F2
SCHEMBL12215734 0.80 LIPG (1.00) LIPGLPLF11ESR2F2
SCHEMBL133316 0.80 LIPG (0.87) LIPGLPLF11ESR2F2
SCHEMBL31427016 0.80 LIPG (0.73) LIPGLPLF11ESR2F2
SCHEMBL1372253 0.80 LIPG (0.67) LIPGLPLF11ESR2CA1

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 — — US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 — — EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 — — 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL LIPG 2301/4885LPL 2438/4885F11 1837/4885

“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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