SCHEMBL7029903

SCHEMBL7029903

CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.39
NAAA Q02083 2/20 0.38
ESR1 P03372 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL18948164 0.88 KMT2A (0.40) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL17931141 0.87 KMT2A (0.39) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL698553 0.82 KMT2A (0.47) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL1939153 0.82 KMT2A (0.71) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL7470898 0.81 GAA (0.46) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL7473740 0.81 KMT2A (0.45) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL27839363 0.81 TSHR (0.48) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL6501569 0.80 TSHR (0.71) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL9244396 0.80 KMT2A (0.49) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL27839267 0.80 KMT2A (0.44) KMT2AGAAMEN1TSHRALDH1A1

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-6579328-B2 Preparation from a sterically hindered nitroxy compound and a diazonium salt of an aromatic amine in the presence of a transition metal catalyst CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US claimed
EP-1278733-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES Ciba SC Holding AG (CH) 2003-01-29 EP claimed
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2002-01-24 US claimed
WO-2001083455-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-08 WO claimed
US-6579328-B2 Preparation from a sterically hindered nitroxy compound and a diazonium salt of an aromatic amine in the presence of a transition metal catalyst CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
EP-1278733-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES Ciba SC Holding AG (CH) 2003-01-29 EP disclosed
US-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2002-01-24 US disclosed
WO-2001083455-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED ARYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-11-08 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-20020007585-A1 Transition-metal-catalyzed process for the preparation of sterically hindered N-substituted aryloxyamines SOD1, NNMT, TYR KMT2A 392/4885GAA 800/4885MEN1 1795/4885

“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.