SCHEMBL5401519

SCHEMBL5401519

CCCCCC1(C)C(=O)OCC(C)(C)N1OC(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
CTSK P43235 6/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 3/20 0.32
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MMP3 P08254 1/20 0.31
CETP P11597 3/20 0.31
MMP8 P22894 2/20 0.30
MMP13 P45452 2/20 0.30
CYP1A1 P04798 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
SCHEMBL7070371 0.87 IDH1 (0.34) CTSKCTSVCTSLCTSSIDH1
SCHEMBL5389794 0.83 IDH1 (0.33) CTSKCTSVCTSLCTSSIDH1
SCHEMBL5385910 0.82 IDH1 (0.34) CTSKCTSVCTSLCTSSIDH1
SCHEMBL5396442 0.80 IDH1 (0.37) IDH1
SCHEMBL13562989 0.79 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL5396081 0.77 MITF (0.34) OPRM1OPRD1OPRK1OPRL1CTSK
SCHEMBL5402085 0.76 IDH1 (0.35) OPRM1OPRD1OPRK1OPRL1IDH1
SCHEMBL5391659 0.75 IDH1 (0.34) OPRM1OPRD1IDH1
SCHEMBL5402134 0.75 IDH1 (0.34) OPRM1OPRD1IDH1
SCHEMBL7070705 0.74 HSD11B1 (0.32)

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 OPRM1 54/4885OPRD1 99/4885OPRK1 114/4885

“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.