SCHEMBL545242

SCHEMBL545242

CCOC(=O)C1([N+](=O)[O-])CC1c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 11/20 0.44
CACNA1D Q01668 11/20 0.44
CACNA1S Q13698 11/20 0.44
CACNA1C Q13936 11/20 0.44
ADORA3 P0DMS8 1/20 0.44
HIF1A Q16665 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL544647 0.89 CACNA1C (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL544674 0.87 SMN1; SMN2 (0.52) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL544652 0.85 GAA (0.43) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL28931334 0.81 ADORA2B (0.45) MAPTPOLBTSHRGAASMN1; SMN2
SCHEMBL544636 0.80 GAA (0.42) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL544774 0.80 GAA (0.42) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL544761 0.80 OPRK1 (0.45) CACNA1DKMT2AMAPTMEN1CYP1A2
SCHEMBL544728 0.78 SMN1; SMN2 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL544900 0.78 CA1 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL545026 0.77 KDM1A (0.43) KMT2AMAPTLMNAPOLBTSHR

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 6 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-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
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-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 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 CACNA1F 1437/4885CACNA1D 1998/4885CACNA1S 2265/4885

“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.