SCHEMBL544943

SCHEMBL544943

CC(C)(C)OC(=O)C1([N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 7/20 0.39
NR3C2 P08235 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PPARA Q07869 1/20 0.37
ABCB1 P08183 1/20 0.36
KDM1A O60341 5/20 0.35
MAOB P27338 5/20 0.35
MAOA P21397 4/20 0.35
MCOLN3 Q8TDD5 1/20 0.34
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 1/20 0.34

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
SCHEMBL544862 0.88 LMNA (0.36) KMT2ARORCNR3C2GAASMN1; SMN2
SCHEMBL544947 0.87 LMNA (0.36) RORCNR3C2SMN1; SMN2LMNACYP2C9
SCHEMBL545374 0.87 RORC (0.42) KMT2ARORCNR3C2GAASMN1; SMN2
SCHEMBL545048 0.86 NR3C2 (0.52) MEN1CYP2C19KMT2ANR3C2GAA
SCHEMBL545342 0.85 KMT2A (0.43) MEN1CYP2C19KMT2AGAASMN1; SMN2
SCHEMBL544674 0.81 SMN1; SMN2 (0.52) MEN1CYP2C19KMT2AGAASMN1; SMN2
SCHEMBL545135 0.79 CYP2C19 (0.43) MEN1CYP2C19KMT2AGAASMN1; SMN2
SCHEMBL545682 0.79 KMT2A (0.34) MEN1CYP2C19KMT2AABCB1
SCHEMBL10083061 0.77 PPARG (0.43) GAASMN1; SMN2TSHR
SCHEMBL544728 0.72 SMN1; SMN2 (0.40) MEN1CYP2C19KMT2ARORCGAA

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

“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.