SCHEMBL545245

SCHEMBL545245

CCOC(=O)C1([N+](=O)[O-])CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
ADAM17 P78536 2/20 0.31
CACNA1F O60840 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
OPRM1 P35372 3/20 0.31
NLRP3 Q96P20 1/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
SLC22A1 O15245 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
KCNH2 Q12809 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
SCHEMBL10071263 0.87 MAPT (0.35) GAAPOLBSMN1; SMN2PPM1BPTPN1
SCHEMBL10071262 0.84 ALDH1A1 (0.33) GAAPOLBSMN1; SMN2ADAM17ADORA3
SCHEMBL544747 0.84 KDM4E (0.32)
SCHEMBL545243 0.77 MAPT (0.35) GAASMN1; SMN2PPM1BPTPN1PPP1CC
SCHEMBL544866 0.74 PKM (0.38) POLBCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL544674 0.74 SMN1; SMN2 (0.52) GAAPOLBSMN1; SMN2CACNA1FADORA3
SCHEMBL7568105 0.72 POLB (0.38) GAAPOLBSMN1; SMN2PPM1BPTPN1
SCHEMBL545178 0.72 MTOR (0.40) GAAPOLBSMN1; SMN2CACNA1FADORA3
SCHEMBL544652 0.71 GAA (0.43) GAASMN1; SMN2CACNA1FADORA3CACNA1D
SCHEMBL9255776 0.70 F10 (0.37) GAAPOLBSMN1; SMN2PPM1BPTPN1

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 GAA 4736/4885POLB 1397/4885SMN1; SMN2 3900/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 GAA 3727/4885POLB 940/4885SMN1; SMN2 3103/4885

“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.