SCHEMBL545633

SCHEMBL545633

COC(=O)C1CC1(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.31
PTGS2 P35354 1/20 0.31
CYP1A2 P05177 2/20 0.30
TSHR P16473 2/20 0.30
HIF1A Q16665 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL545243 0.81 MAPT (0.35) LMNAMAPTCYP3A4KMT2ACYP2C9
SCHEMBL10071262 0.79 ALDH1A1 (0.33) LMNAMAPTCYP1A2TSHRHIF1A
SCHEMBL10071244 0.74 MAPT (0.35) ATMLMNAMAPTCYP1A2TSHR
SCHEMBL16457518 0.71 MAPT (0.33) MAPT
SCHEMBL16457959 0.68 ATM (0.32) ATMMAPTCYP1A2TSHRCYP2C9
SCHEMBL4296033 0.67 LMNA (0.44) ATMLMNAMAPTCYP1A2TSHR
Bicarbonate SCHEMBL10618406 0.66 ATM (0.41) ATMLMNAMAPTCYP1A2TSHR
SCHEMBL294509 0.65
SCHEMBL545245 0.65 GAA (0.33)
SCHEMBL16457962 0.64 MAPT (0.36) MAPTTDP1

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 3 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
US-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-25 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 (2 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-20100076239-A1 ASYMMETRIC CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS WITH DIAZO REAGENTS DUOX2, DUOX1, PPOX ATM 1845/4885LMNA 4809/4885MAPT 3165/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 ATM 1549/4885LMNA 3375/4885MAPT 3287/4885

“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.