SCHEMBL544728

SCHEMBL544728

CCOC(=O)C1([N+](=O)[O-])CC1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA3 P0DMS8 2/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RORC P51449 3/20 0.34
NR1I2 O75469 1/20 0.34
SLC6A2 P23975 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL545026 0.89 KDM1A (0.43) SMN1; SMN2GAAKMT2AMAPTALDH1A1
SCHEMBL544652 0.87 GAA (0.43) SMN1; SMN2GAAADORA3CACNA1FCACNA1D
SCHEMBL544636 0.85 GAA (0.42) SMN1; SMN2GAAMEN1KMT2AADORA3
SCHEMBL544947 0.85 LMNA (0.36) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL544761 0.85 OPRK1 (0.45) SMN1; SMN2GAAMEN1KMT2ACACNA1D
SCHEMBL544774 0.85 GAA (0.42) SMN1; SMN2GAAMEN1KMT2AADORA3
SCHEMBL544674 0.85 SMN1; SMN2 (0.52) SMN1; SMN2GAAMEN1KMT2AADORA3
SCHEMBL28562220 0.79 TUBB4A (0.42) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL28931334 0.78 ADORA2B (0.45) SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL545242 0.78 CACNA1F (0.44) SMN1; SMN2GAAMEN1KMT2AADORA3

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 6 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-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
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 SMN1; SMN2 3103/4885GAA 3727/4885MEN1 3138/4885

“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.