SCHEMBL3765567

SCHEMBL3765567

O=[N+]([O-])OCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA9 Q16790 4/20 0.43
ALDH1A1 P00352 2/20 0.37
PTGS2 P35354 1/20 0.36
ESR2 Q92731 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
ACHE P22303 2/20 0.32

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
SCHEMBL30989325 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL19212517 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL30989302 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL1246014 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL3774795 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL30989337 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL30989339 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL21810753 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL21810763 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13685928 1.00 CA12 (0.43) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359546-A Nitric oxide donor type ambrisentan derivative, and pharmaceutical composition and application thereof 江苏海洋大学 2024-07-19 CN claimed
CN-118359595-A Nitric oxide donor type atrasentan derivative, and pharmaceutical composition and application thereof 江苏海洋大学 2024-07-19 CN claimed
EP-1560804-B1 A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS DIPHARMA FRANCIS SRL (IT) 2009-04-29 EP claimed
US-7335789-B2 Process for the mononitration of alkanediols DIPHARMA S.P.A. (IT) 2008-02-26 US claimed
US-20060128983-A1 Process for the mononitration of alkanediols DIPHARMA S.P.A. (IT) 2006-06-15 US claimed
EP-1560804-A1 A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS Dipharma S.p.A. (IT) 2005-08-10 EP claimed
WO-2004043898-A1 A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS DIPHARMA S.P.A. (IT) 2004-05-27 WO claimed
CN-117229211-B NO donor type roflumilast derivative, preparation method, composition and application 武汉科技大学 2026-05-12 CN disclosed
US-12612356-B2 Process for nitrate ester formation of an α,ω-alkanediol monoacylate DSM IP ASSETS B.V. (NL) 2026-04-28 US disclosed
US-12522558-B2 Process for the acylation of an alpha, omega-alkanediol DSM IP ASSETS B.V. (CH) 2026-01-13 US disclosed
CN-115443263-B Process for acylating alpha, omega-alkanediols 帝斯曼知识产权资产管理有限公司 2025-05-06 CN disclosed
CN-119613265-A Method for preparing omega-nitrooxy-1-alkanol 帝斯曼知识产权资产管理有限公司 2025-03-14 CN disclosed
CN-115427389-B Process for preparing omega-alkanediol mononitrate 帝斯曼知识产权资产管理有限公司 2024-12-20 CN disclosed
WO-2006091716-A2 NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-08-31 WO disclosed
US-20060128983-A1 Process for the mononitration of alkanediols DIPHARMA S.P.A. (IT) 2006-06-15 US disclosed
EP-1560804-A1 A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS Dipharma S.p.A. (IT) 2005-08-10 EP disclosed
EP-1534278-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-01 EP disclosed
WO-2004043898-A1 A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS DIPHARMA S.P.A. (IT) 2004-05-27 WO disclosed
WO-2004012659-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 WO disclosed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 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 (2 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-12612356-B2 Process for nitrate ester formation of an α,ω-alkanediol monoacylate ELOVL3, ELOVL1, PTGES CA12 1956/4885CA1 2237/4885CA2 1637/4885
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NOS1, PTGS1, NOS2 CA12 3619/4885CA1 2157/4885CA2 843/4885

“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.