SCHEMBL5402134

SCHEMBL5402134

CC(ON1C(C)(C)COC(=O)C12CCCCC2)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.34
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CYP2B6 P20813 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PRCP P42785 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GRIN1 Q05586 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HSD11B1 P28845 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL5391659 1.00 IDH1 (0.34) IDH1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL5396442 0.84 IDH1 (0.37) IDH1HSD11B1CYP3A4CYP2C9ALOX15
SCHEMBL5402085 0.81 IDH1 (0.35) IDH1HSD11B1OPRM1OPRD1
SCHEMBL7070371 0.80 IDH1 (0.34) IDH1HSD11B1
SCHEMBL5385910 0.80 IDH1 (0.34) IDH1HSD11B1
SCHEMBL5389794 0.78 IDH1 (0.33) IDH1HSD11B1
SCHEMBL13562982 0.78 LTB4R (0.32) LTB4RLTB4R2
SCHEMBL5396081 0.77 MITF (0.34) IDH1HSD11B1OPRM1OPRD1
SCHEMBL682099 0.76 CYP2D6 (0.36) KCNH2CYP3A4CYP2C9CYP2C19LTB4R
SCHEMBL5394706 0.76 IDH1 (0.35) IDH1SLC6A2SLC6A4SLC6A3KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297819-B2 Open-chain alkoxyamines and their corresponding nitroxides for controlled low temperature radical polymerization CIBA SPECIALTY CHEMICALS CORP. (US) 2007-11-20 US disclosed
US-7297819-B2 Open-chain alkoxyamines and their corresponding nitroxides for controlled low temperature radical polymerization CIBA SPECIALTY CHEMICALS CORP. (US) 2007-11-20 US disclosed
US-7297819-B2 Open-chain alkoxyamines and their corresponding nitroxides for controlled low temperature radical polymerization CIBA SPECIALTY CHEMICALS CORP. (US) 2007-11-20 US disclosed
EP-1481012-B1 OPEN-CHAIN ALKOXYAMINES AND THEIR CORRESPONDING NITROXIDES FOR CONTROLLED LOW TEMPERATURE RADICAL POLYMERIZATION CIBA SC HOLDING AG (CH) 2006-05-17 EP disclosed
US-20050124814-A1 Open-chain alkoxyamines and their corresponding nitroxides for controlled low temperature radical polymerization CIBA SPECIALTY CHEMICALS CORPORATION 2005-06-09 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-20050124814-A1 Open-chain alkoxyamines and their corresponding nitroxides for controlled low temperature radical polymerization ALOX5, NOS2, NOS1 IDH1 1029/4885GRIN2D 2182/4885GRIN3B 3791/4885

“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.