SCHEMBL544636

SCHEMBL544636

CCOC(=O)C1([N+](=O)[O-])CC1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL544652 0.90 GAA (0.43) GAASMN1; SMN2OPRM1HTTALDH1A1
SCHEMBL544774 0.87 GAA (0.42) GAASMN1; SMN2KDM1ARCOR1MEN1
SCHEMBL544761 0.87 OPRK1 (0.45) GAASMN1; SMN2OPRM1KDM1ARCOR1
SCHEMBL544674 0.87 SMN1; SMN2 (0.52) GAASMN1; SMN2OPRM1MEN1KMT2A
SCHEMBL545026 0.86 KDM1A (0.43) GAASMN1; SMN2KDM1ARCOR1KMT2A
SCHEMBL544728 0.85 SMN1; SMN2 (0.40) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL545178 0.80 MTOR (0.40) GAASMN1; SMN2OPRM1ALDH1A1MAPT
SCHEMBL28931334 0.80 ADORA2B (0.45) GAASMN1; SMN2ALDH1A1PKMMAPT
SCHEMBL545242 0.80 CACNA1F (0.44) GAASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL544647 0.79 CACNA1C (0.57) MEN1KMT2AMAPK1ALDH1A1MAPT

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 4 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-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 GAA 3727/4885SMN1; SMN2 3103/4885OPRM1 1277/4885

“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.