SCHEMBL545342

SCHEMBL545342

COC(=O)C1([N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPT P10636 5/20 0.42
AURKA O14965 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL12860010 0.86 GAA (0.37) KMT2AMEN1AURKAALDH1A1POLB
SCHEMBL544943 0.85 MEN1 (0.41) KMT2ACYP2C19MEN1MCOLN3LMNA
SCHEMBL544674 0.85 SMN1; SMN2 (0.52) KMT2ACYP2C19MEN1MAPTAURKA
SCHEMBL545135 0.83 CYP2C19 (0.43) KMT2ACYP2C19MEN1ALDH1A1LMNA
SCHEMBL2797226 0.82 MAPT (0.40) KMT2ACYP2C19MEN1MAPTAURKA
SCHEMBL10083061 0.80 PPARG (0.43) AURKAALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL5961926 0.74 MAPT (0.55) KMT2ACYP2C19MEN1MAPTPOLB
SCHEMBL9989762 0.74 MAPT (0.55) KMT2ACYP2C19MEN1MAPTPOLB
SCHEMBL544652 0.73 GAA (0.43) ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL15777831 0.73 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1POLB

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 KMT2A 1179/4885CYP2C19 839/4885MEN1 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.