SCHEMBL545682

SCHEMBL545682

CC(C)(C)OC(=O)C1([N+](=O)[O-])CC1CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.32
STS P08842 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
SCHEMBL545631 0.84 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1ATM
SCHEMBL544943 0.79 MEN1 (0.41) KMT2AMEN1CYP2C19ABCB1
SCHEMBL10073915 0.79 FFAR4 (0.41) KMT2ASIGMAR1CTSSCTSKCA12
SCHEMBL544748 0.77 PKM (0.37)
SCHEMBL10073881 0.76 CTSS (0.41) KMT2AMEN1SIGMAR1CTSSCTSK
SCHEMBL10073884 0.76 POLB (0.35) KMT2ASIGMAR1CTSSCTSKCA12
SCHEMBL544830 0.72 MAPK1 (0.44) CYP2C19
SCHEMBL10071242 0.71 SLC18A2 (0.37) KMT2AMEN1CYP2C19SIGMAR1
SCHEMBL544862 0.70 LMNA (0.36) KMT2A
SCHEMBL544947 0.69 LMNA (0.36)

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 KMT2A 1179/4885MEN1 3138/4885CYP2C19 839/4885

“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.