SCHEMBL545374

SCHEMBL545374

CC(C)(C)OC(=O)C1([N+](=O)[O-])CC1c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.42
DGAT1 O75907 1/20 0.36
LMNA P02545 5/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
PPARA Q07869 1/20 0.36
LIG1 P18858 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33
NR3C2 P08235 1/20 0.33
BCL2 P10415 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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) RORCLMNATSHRCYP2C9BLM
SCHEMBL544947 0.87 LMNA (0.36) RORCLMNATSHRCYP2C9BLM
SCHEMBL544943 0.87 MEN1 (0.41) RORCLMNATSHRCYP2C9BLM
SCHEMBL12860010 0.85 GAA (0.37) LMNATSHRLIG1KDM1ARCOR1
SCHEMBL544774 0.82 GAA (0.42) LMNATSHRKDM1ARCOR1SMN1; SMN2
SCHEMBL12860013 0.79 LIG1 (0.40) RORCLMNALIG1KDM1ARCOR1
SCHEMBL545048 0.79 NR3C2 (0.52) LMNATSHRCYP2C9SMN1; SMN2NPC1
SCHEMBL544728 0.72 SMN1; SMN2 (0.40) RORCLMNACYP2C9SMN1; SMN2NPC1
SCHEMBL545342 0.71 KMT2A (0.43) LMNAKDM1ASMN1; SMN2GAAKMT2A
SCHEMBL544652 0.71 GAA (0.43) LMNATSHRSMN1; SMN2GAAALDH1A1

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 RORC 2619/4885DGAT1 565/4885LMNA 3375/4885

“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.