SCHEMBL544947

SCHEMBL544947

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PPARA Q07869 1/20 0.36
HSD11B1 P28845 4/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.34
RORC P51449 8/20 0.33
NR3C2 P08235 1/20 0.33
MGLL Q99685 2/20 0.32
RIPK1 Q13546 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
SCHEMBL544862 0.88 LMNA (0.36) LMNACYP2C9TSHRBLMPPARA
SCHEMBL545374 0.87 RORC (0.42) LMNACYP2C9TSHRBLMPPARA
SCHEMBL544943 0.87 MEN1 (0.41) LMNACYP2C9TSHRBLMPPARA
SCHEMBL544728 0.85 SMN1; SMN2 (0.40) LMNACYP2C9NPC1ALDH1A1MAPT
SCHEMBL545048 0.79 NR3C2 (0.52) LMNACYP2C9TSHRNPC1ALDH1A1
SCHEMBL545026 0.74 KDM1A (0.43) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL12860010 0.72 GAA (0.37) LMNATSHRALDH1A1SLC6A2
SCHEMBL10071234 0.72 HSD11B1 (0.38) LMNAHSD11B1NPC1ALDH1A1MAPT
SCHEMBL545342 0.71 KMT2A (0.43) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL544652 0.71 GAA (0.43) LMNATSHRALDH1A1SMN1; SMN2

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 LMNA 3375/4885CYP2C9 1146/4885TSHR 4237/4885

“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.