SCHEMBL544862

SCHEMBL544862

Cc1ccc(C2CC2(C(=O)OC(C)(C)C)[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 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
NR3C2 P08235 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ALDH1A1 P00352 4/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.32
NR1D1 P20393 1/20 0.32
RORC P51449 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CPB2 Q96IY4 1/20 0.31
RIPK1 Q13546 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
SCHEMBL545374 0.88 RORC (0.42) LMNACYP2C9TSHRBLMPPARA
SCHEMBL544947 0.88 LMNA (0.36) LMNACYP2C9TSHRBLMPPARA
SCHEMBL544943 0.88 MEN1 (0.41) LMNACYP2C9TSHRBLMPPARA
SCHEMBL544652 0.83 GAA (0.43) LMNATSHRALDH1A1PKMHTT
SCHEMBL545048 0.80 NR3C2 (0.52) LMNACYP2C9TSHRNR3C2ALDH1A1
SCHEMBL544728 0.76 SMN1; SMN2 (0.40) LMNACYP2C9ALDH1A1GAASMN1; SMN2
SCHEMBL12860010 0.73 GAA (0.37) LMNATSHRALDH1A1GAAKMT2A
SCHEMBL544774 0.73 GAA (0.42) LMNATSHRGPR119ALDH1A1HTT
SCHEMBL544636 0.73 GAA (0.42) LMNACYP2C9ALDH1A1PKMHTT
SCHEMBL544761 0.73 OPRK1 (0.45) CYP2C9HTTGAASMN1; SMN2KMT2A

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.