SCHEMBL10083061

SCHEMBL10083061

CCCCOC(=O)C1([N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1F O60840 6/20 0.40
CACNA1D Q01668 6/20 0.40
CACNA1S Q13698 6/20 0.40
CACNA1C Q13936 6/20 0.40
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL544674 0.87 SMN1; SMN2 (0.52) TSHRL3MBTL1GAASMN1; SMN2CACNA1F
SCHEMBL545342 0.80 KMT2A (0.43) GAASMN1; SMN2MAPK1ALDH1A1AURKA
SCHEMBL10083062 0.77 PPARG (0.46) PPARGTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL545242 0.76 CACNA1F (0.44) TSHRGAASMN1; SMN2CACNA1FCACNA1D
SCHEMBL545135 0.75 CYP2C19 (0.43) GAASMN1; SMN2MAPK1ALDH1A1
SCHEMBL16482743 0.75 SIGMAR1 (0.39) PPARGTSHRTDP1L3MBTL1CACNA1F
SCHEMBL544636 0.75 GAA (0.42) GAASMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL544761 0.75 OPRK1 (0.45) GAASMN1; SMN2CACNA1DCYP3A4
SCHEMBL544647 0.75 CACNA1C (0.57) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL544900 0.72 CA1 (0.42) TSHRL3MBTL1GAASMN1; SMN2CACNA1F

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 PPARG 1579/4885TSHR 4237/4885TDP1 2369/4885

“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.