SCHEMBL10071262

SCHEMBL10071262

CCOC(=O)C1([N+](=O)[O-])CC1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 3/20 0.32
MAPT P10636 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 3/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 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
SCHEMBL10071263 0.91 MAPT (0.35) ALDH1A1SMN1; SMN2GAAMAPTCYP3A4
SCHEMBL545245 0.84 GAA (0.33) SMN1; SMN2GAAPOLBADORA3ADAM17
SCHEMBL544747 0.82 KDM4E (0.32) MAPT
SCHEMBL545633 0.79 ATM (0.32) HIF1AMAPTCYP3A4CYP2C19LMNA
SCHEMBL545243 0.78 MAPT (0.35) ALDH1A1SMN1; SMN2GAAMAPTCYP3A4
SCHEMBL3144171 0.72 GAA (0.37) ALDH1A1SMN1; SMN2GAAMAPTCYP3A4
SCHEMBL544866 0.72 PKM (0.38) ALDH1A1POLB
SCHEMBL545178 0.70 MTOR (0.40) ALDH1A1SMN1; SMN2GAAMAPTCYP3A4
SCHEMBL544674 0.69 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2GAAHIF1AMAPT
SCHEMBL544652 0.69 GAA (0.43) ALDH1A1SMN1; SMN2GAALMNATSHR

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 ALDH1A1 1047/4885SMN1; SMN2 3900/4885RXFP1 4455/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 ALDH1A1 665/4885SMN1; SMN2 3103/4885RXFP1 4725/4885

“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.