SCHEMBL13525148

SCHEMBL13525148

CC(C)(C)OC(=O)C(=O)Cc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TMEM97 Q5BJF2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NR1D1 P20393 3/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NR1H3 Q13133 1/20 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
SCHEMBL13525147 0.84 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL13525150 0.81 CA12 (0.56) CA12CA1CA2CA4CA9
SCHEMBL13546030 0.79 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL22227473 0.78 CA2 (0.48) CA12CA1CA2CA4CA9
SCHEMBL15928851 0.76 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL7278868 0.76 CES1 (0.57) CA12CA1ALDH1A1FNTAFNTB
SCHEMBL220304 0.76 CA2 (0.53) CA12CA1CA2CA4CA9
SCHEMBL13685904 0.74 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL3306193 0.74 ALDH1A1 (0.50) CA12CA1CA2CA4CA9
SCHEMBL13525145 0.74 TMEM97 (0.44) TMEM97ALDH1A1MAPTMAOB

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-7645748-B2 include a phosphate linker, at least one nitrate group that releases nitric oxide (NO), and a sterol or stanol group; useful for treating atherosclerosis, hypercholesterolemia, hyperlipidemia, hypertension, thrombosis, Type II diabetes, dementia, Alzheimer's disease and aging FORBES MEDI-TECH INC. (CA) 2010-01-12 — — US disclosed
US-7645749-B2 contains ester linkage of a nitric oxide (NO)-releasing moiety to a sterol or stanol compound; useful for treating atherosclerosis, hypercholesterolemia, hyperlipidemia, hypertension, thrombosis, Type II diabetes, dementia, Alzheimer's disease and aging FORBES MEDI-TECH INC. (CA) 2010-01-12 — — US disclosed
US-20070232580-A1 Novel sterol/stanol nitroderivatives and use thereof in treating or preventing cardiovascular disease, its underlying conditions and other disorders FORBES MEDI-TECH INC. 2007-10-04 — — US disclosed
US-20070232688-A1 Novel sterol/stanol phosphorylnitroderivatives and use thereof in treating or preventing cardiovascular disease, its underlying conditions and other disorders FORBES MEDI-TECH INC. 2007-10-04 — — 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-20070232688-A1 Novel sterol/stanol phosphorylnitroderivatives and use thereof in treating or preventing cardiovascular disease, its underlying conditions and other disorders CYP27A1, CYP27B1, HSD11B1 CA12 4681/4885CA1 4694/4885CA2 3889/4885
US-20070232580-A1 Novel sterol/stanol nitroderivatives and use thereof in treating or preventing cardiovascular disease, its underlying conditions and other disorders CYP27A1, HSD11B1, NOS1 CA12 4650/4885CA1 4811/4885CA2 4703/4885

“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.

Send feedback