SCHEMBL5402085

SCHEMBL5402085

CC(ON1C(C)(C)COC(=O)C1(C)c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
HSD11B1 P28845 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL5394706 0.92 IDH1 (0.35) IDH1SMN1; SMN2HSD11B1OPRM1OPRD1
SCHEMBL5396442 0.85 IDH1 (0.37) IDH1HSD11B1
SCHEMBL5396081 0.83 MITF (0.34) IDH1ATMHSD11B1OPRM1OPRD1
SCHEMBL5391659 0.81 IDH1 (0.34) IDH1HSD11B1OPRM1OPRD1
SCHEMBL7070371 0.81 IDH1 (0.34) IDH1HSD11B1
SCHEMBL5385910 0.81 IDH1 (0.34) IDH1HSD11B1
SCHEMBL5402134 0.81 IDH1 (0.34) IDH1HSD11B1OPRM1OPRD1
SCHEMBL5389794 0.79 IDH1 (0.33) IDH1HSD11B1
SCHEMBL5401519 0.76 OPRM1 (0.35) IDH1OPRM1OPRD1OPRK1OPRL1
SCHEMBL11949109 0.73 ATM (0.35) ATMOPRM1OPRD1OPRK1OPRL1

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 7 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
EP-1481012-A1 OPEN-CHAIN ALKOXYAMINES AND THEIR CORRESPONDING NITROXIDES FOR CONTROLLED LOW TEMPERATURE RADICAL POLYMERIZATION Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074572-A1 OPEN-CHAIN ALKOXYAMINES AND THEIR CORRESPONDING NITROXIDES FOR CONTROLLED LOW TEMPERATURE RADICAL POLYMERIZATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO 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 1029/4885SMN1; SMN2 1717/4885ATM 3172/4885

“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.