SCHEMBL3774795

SCHEMBL3774795

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

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
SCHEMBL3765567 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 disclosed
US-20100312003-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES LONZA LTD. (CH) 2010-12-09 US disclosed
EP-2048129-A1 Method for the preparation of organic nitrates LONZA AG (CH) 2009-04-15 EP disclosed
EP-0361888-B1 Apovincaminic acid derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-05-04 EP disclosed
US-4980474-A For treatment of vascular injuries, angina pectoris, hypertension and alzheimer*s disease TAISHO PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
EP-0361888-A2 Apovincaminic acid derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-04-04 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 (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-20100312003-A1 METHOD FOR THE PREPARATION OF ORGANIC NITRATES NOS2, NOS1, NOS3 CA12 1295/4885CA1 1071/4885CA2 740/4885

“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.