SCHEMBL6276791

SCHEMBL6276791

CCCCNC(=O)C(C)(C)N(OC(C)(C)C#N)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.36
ACHE P22303 9/20 0.35
MGLL Q99685 2/20 0.35
MMP2 P08253 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL6276861 0.76
SCHEMBL6283384 0.74 EPHX1 (0.31) EPHX1ACHEMGLL
SCHEMBL6315703 0.72 DGAT1 (0.31)
SCHEMBL6276781 0.69 EPHX1 (0.39) EPHX1ACHEMGLLZDHHC20ZDHHC2
SCHEMBL9576653 0.67 EPHX1 (0.46) EPHX1ACHEMGLLMMP2ZDHHC20
SCHEMBL1900050 0.66 EPHX1 (0.44) EPHX1ACHEMGLLMMP2ZDHHC20
SCHEMBL2736685 0.66 EPHX1 (0.55) EPHX1ACHEMMP2
SCHEMBL10765973 0.66 EPHX1 (0.55) EPHX1ACHEMMP2
SCHEMBL15355956 0.65 EPHX1 (0.47) EPHX1ACHEMMP2ZDHHC20ZDHHC2
SCHEMBL25848647 0.64 EPHX1 (0.53) EPHX1ACHEMMP2

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-6841703-B2 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
EP-1100772-B1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SC HOLDING AG (CH) 2004-04-14 EP disclosed
US-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6518326-B1 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 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-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators ALOX5, PTGER1, ALOX12 EPHX1 174/4885ACHE 3080/4885MGLL 1339/4885

“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.