SCHEMBL6544633

SCHEMBL6544633

CC1(C)CCCC(C)(C)N1OC(=O)c1cccc(C(=O)ON2C(C)(C)CCCC2(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 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
SCHEMBL4625144 0.89 KMT2A (0.61) KMT2ATSHRGAAMEN1NPSR1
SCHEMBL6544700 0.86 GAA (0.54) KMT2ATSHRGAAMEN1NPSR1
SCHEMBL17769842 0.86 RXFP1 (0.53) KMT2ATSHRMEN1ALDH1A1RAB9A
SCHEMBL10717862 0.84 GAA (0.43) KMT2ATSHRGAAMEN1NPSR1
SCHEMBL27403915 0.81 TSHR (0.49) KMT2ATSHRGAAMEN1NPSR1
SCHEMBL6544243 0.80 TSHR (0.44) KMT2ATSHRGAAMEN1ALDH1A1
SCHEMBL28704692 0.78 HTT (0.46) KMT2ATSHRGAAMEN1NPSR1
SCHEMBL28229700 0.75 LMNA (0.49) KMT2ATSHRGAAMEN1ALDH1A1
SCHEMBL11805970 0.75 NPSR1 (0.49) KMT2ATSHRMEN1NPSR1ALDH1A1
SCHEMBL7935404 0.73 LMNA (0.48) KMT2ATSHRGAAMEN1NPSR1

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-6686424-B2 USE IN RADICAL POLYMERIZATION; REACTING AN OXIDIZING AGENT WITH A STERICALLY HINDERED SECONDARY AMINE TO PRODUCE A NITROXY RADICAL; ADDING TO THE NITROXY RADICAL ONE OR MORE VINYL MONOMER BAYER AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
EP-1375457-A1 One-pot process for the preparation of functionalized alkoxyamines Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
EP-1375476-A1 A new process for the synthesis of alkoxyamines active in controlled radical polymerization Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
US-20030236368-A1 PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE BAYER AKTIENGESELLSCHAFT (DE) 2003-12-25 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-20030236368-A1 PREPARATION OF FUNCTIONALIZED ALKOXYAMINE INITIATOR AND ITS USE NOS1, NOS2, CBR1 KMT2A 1259/4885TSHR 3966/4885GAA 2494/4885

“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.