SCHEMBL6544243

SCHEMBL6544243

CC1(C)CCCC(C)(C)N1OC(=O)c1ccccc1C(=O)ON1C(C)(C)CCCC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.41
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HTT P42858 3/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28229700 0.91 LMNA (0.49) TSHRKMT2AMEN1GAAHTT
SCHEMBL28704692 0.91 HTT (0.46) TSHRKMT2AMEN1GAAHTT
SCHEMBL4625144 0.85 KMT2A (0.61) TSHRKMT2AMEN1GAAMAPT
SCHEMBL10717862 0.84 GAA (0.43) TSHRKMT2AMEN1GAAMAPT
SCHEMBL5694381 0.82 ALDH1A1 (0.44) TSHRKMT2AMEN1SCN1ASCN2A
SCHEMBL6544700 0.82 GAA (0.54) TSHRKMT2AMEN1GAAHTT
SCHEMBL6544633 0.80 KMT2A (0.49) TSHRKMT2AMEN1GAAMAPT
SCHEMBL27403915 0.77 TSHR (0.49) TSHRKMT2AMEN1GAAMAPT
Benzene SCHEMBL4123604 0.76 KMT2A (0.38) TSHRKMT2AMEN1GAASCN1A
SCHEMBL7027544 0.76 ELANE (0.41) KMT2AMEN1HTTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122270-A1 In-situ polymerization of monoethylenically unsaturated monomers with secondary amines BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
EP-1428838-A1 In situ-polymerization of monoethylenically unsaturated monomers with secondary amines Bayer MaterialScience AG (DE) 2004-06-16 EP disclosed
EP-1428839-A1 In-situ polymerization of monoethylenically unsaturated monomers with secondary amines Bayer MaterialScience AG (DE) 2004-06-16 EP disclosed
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
US-6121393-A USING A CATALYST OF A SOLID TITANIUM CATALYST COMPONENT CONTAINING MAGNESIUM, TITANIUM AND HALOGEN ATOMS, AN ORGANO-ALUMINUM COMPOUND, AND A BRANCHED CHAIN ALKYL CHLORIDE OR TITANIUM TETRACHLORIDE; STEREOSPECIFIC; POLYPROPYLENE MITSUI CHEMICALS (JP) 2000-09-19 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 (2 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 TSHR 3966/4885KMT2A 1259/4885MEN1 2727/4885
US-20040122270-A1 In-situ polymerization of monoethylenically unsaturated monomers with secondary amines ALOX5, PARG, FASN TSHR 4635/4885KMT2A 1375/4885MEN1 1563/4885

“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.