SCHEMBL544866

SCHEMBL544866

CCCCC1CC1(C(=O)OCC)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL545631 0.78 L3MBTL1 (0.41) PKMALDH1A1POLBL3MBTL1
SCHEMBL10071263 0.74 MAPT (0.35) PKMALDH1A1POLBCACNA1FCACNA1D
SCHEMBL545245 0.74 GAA (0.33) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10071262 0.72 ALDH1A1 (0.33) ALDH1A1POLB
SCHEMBL544747 0.72 KDM4E (0.32)
SCHEMBL545178 0.71 MTOR (0.40) ALDH1A1POLBCACNA1FCACNA1DCACNA1S
SCHEMBL544652 0.70 GAA (0.43) PKMALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL544674 0.70 SMN1; SMN2 (0.52) ALDH1A1POLBL3MBTL1CACNA1FCACNA1D
SCHEMBL3493122 0.69 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1
SCHEMBL3491331 0.69 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1

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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
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-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 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 (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-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 PKM 2758/4885ALDH1A1 665/4885POLB 940/4885

“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.