SCHEMBL957814

SCHEMBL957814

CCOC(=O)C(C(=O)CC)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.66
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ PIN1 Q13526 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SRC P12931 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL10608600 0.89 MMP8 (0.57) MMP8MEN1NPC1KMT2ACA12
SCHEMBL266419 0.89 MMP8 (0.74) MMP8MEN1NPC1KMT2ACA12
SCHEMBL31069943 0.87 MMP8 (0.72) MMP8MEN1NPC1KMT2ACA12
SCHEMBL28674585 0.87 MMP8 (0.72) MMP8MEN1NPC1KMT2ACA12
SCHEMBL10605814 0.86 ALDH1A1 (0.51) MMP8SMN1; SMN2SRCALDH1A1CYP1A2
SCHEMBL10608461 0.86 MMP8 (0.62) MMP8MEN1NPC1KMT2ACA12
SCHEMBL11497870 0.86 MMP8 (0.62) MMP8MEN1NPC1KMT2ACA12
SCHEMBL1275691 0.85 MMP8 (0.70) MMP8MEN1NPC1KMT2ACA12
SCHEMBL5141926 0.85 MMP8 (0.65) MMP8MEN1NPC1KMT2ACA12
SCHEMBL4091310 0.85 MMP8 (0.60) MMP8MEN1NPC1KMT2ACA12

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885726-B1 ORTHO-CONDENSED 2-PYRIDINONE DERIVATIVES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 — — US disclosed
CN-101959889-A Heterocyclic compounds as inhibitors of CXCR2 NOVARTIS AG 2011-01-26 — — CN disclosed
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 — — US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 — — EP disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 — — US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 — — US disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 — — US disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 — — US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 — — US disclosed
US-7723342-B2 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION (US) 2010-05-25 — — US disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 — — WO disclosed
WO-2008060476-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-22 — — WO disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 — — US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 — — US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 — — US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 — — US disclosed
EP-0114059-B1 METHOD OF PREPARING A POLYAMIDE ACID COMPOSITION FOR PREPARING POLYIMIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-06-14 — — EP disclosed
US-4515915-A Polyamide acid composition for preparing polyimide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-07 — — US disclosed
EP-0114059-A2 Method of preparing a polyamide acid composition for preparing polyimide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-07-25 — — EP 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 (5 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-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 MMP8 1523/4885MEN1 277/4885NPC1 529/4885
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof CYP11B2, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MMP8 1739/4885MEN1 259/4885NPC1 474/4885
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 MMP8 1523/4885MEN1 277/4885NPC1 529/4885
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 MMP8 138/4885MEN1 4143/4885NPC1 2728/4885
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 MMP8 1523/4885MEN1 277/4885NPC1 529/4885

“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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