SCHEMBL10071263

SCHEMBL10071263

CCOC(=O)C1CC1(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 5/20 0.31
LMNA P02545 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
CACNA1F O60840 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31

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
SCHEMBL10071262 0.91 ALDH1A1 (0.33) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL544747 0.88 KDM4E (0.32) MAPT
SCHEMBL545245 0.87 GAA (0.33) SMN1; SMN2POLBPPM1BPTPN1PPP1CC
SCHEMBL545243 0.87 MAPT (0.35) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10071245 0.77 MAPT (0.39) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL544866 0.74 PKM (0.38) ALDH1A1POLBPKMCACNA1FCACNA1D
SCHEMBL545178 0.72 MTOR (0.40) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL544652 0.71 GAA (0.43) ALDH1A1LMNASMN1; SMN2PKMHTT
SCHEMBL544674 0.71 SMN1; SMN2 (0.52) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24766727 0.70 LMNA (0.39) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 US disclosed
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 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-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX MAPT 3165/4885CYP3A4 328/4885CYP2D6 193/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 MAPT 3287/4885CYP3A4 230/4885CYP2D6 521/4885

“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.