SCHEMBL544748

SCHEMBL544748

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
CPB2 Q96IY4 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL544866 0.83 PKM (0.38) PKMCPB2ALDH1A1
SCHEMBL545682 0.77 KMT2A (0.34)
SCHEMBL10073917 0.75 SPHK1 (0.36) CPB2ALDH1A1
SCHEMBL10073879 0.71 CTSK (0.34) CPB2ALDH1A1
SCHEMBL10073918 0.70 SPHK1 (0.39) CPB2ALDH1A1
SCHEMBL544862 0.68 LMNA (0.36) PKMCPB2ALDH1A1
SCHEMBL27809137 0.67 ALDH1A1 (0.35) CPB2ALDH1A1
SCHEMBL544947 0.67 LMNA (0.36) ALDH1A1
SCHEMBL545374 0.67 RORC (0.42) ALDH1A1
SCHEMBL10071243 0.65 PKM (0.46) PKMALDH1A1

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 2 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

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 2758/4885CPB2 2365/4885ALDH1A1 665/4885

“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.