SCHEMBL5697678

SCHEMBL5697678

CC1(C)CC(NC(=O)CCCO)CC(C)(C)N1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK8 P45983 1/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL316348 0.92 SMN1; SMN2 (0.48) MAPTGAAKDM4EMAPK8KMT2A
SCHEMBL23793834 0.87 GNAI3 (0.44) MAPTGAAKDM4EMAPK8KMT2A
SCHEMBL12846025 0.87 GAA (0.43) MAPTGAAKDM4EMAPK8KMT2A
SCHEMBL18329658 0.87 SMN1; SMN2 (0.44) GAAKDM4EMAPK8KMT2ASMN1; SMN2
SCHEMBL21236012 0.86 GNAI3 (0.50) MAPTGAAKDM4EMAPK8KMT2A
SCHEMBL4407502 0.86 SMN1; SMN2 (0.43) MAPTGAAKDM4EMAPK8KMT2A
SCHEMBL24850463 0.86 GAA (0.46) MAPTGAAKDM4EMAPK8KMT2A
SCHEMBL23793654 0.84 GNAI3 (0.52) MAPTKMT2AEPHX2GNAI3GNAO1
SCHEMBL271981 0.84 GNAI3 (0.52) MAPTKMT2AEPHX2GNAI3GNAO1
SCHEMBL23783504 0.84 GAA (0.45) GAAKDM4EMAPK8KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310819-B1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2019-06-12 EP disclosed
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
WO-2016202883-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2016-12-22 WO disclosed
EP-1297038-B1 RUBBER-CONTAINING STYRENE POLYMERS WITH IMPROVED IMPACT RESISTANCE BASF AG (DE) 2006-08-02 EP disclosed
EP-1144353-B1 METHOD FOR STABILIZING CHEMICAL COMPOUNDS CONTAINING AT LEAST ONE ETHYLENICALLY UNSATURATED BOND IN ORDER TO PREVENT UNDESIRABLE RADICAL POLYMERIZATION BASF AG (DE) 2005-12-28 EP disclosed
US-6726854-B2 FOR STABILIZATION OF VINYLICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1077245-B1 Inhibitor composition for stabilising radically polymerisable substances BASF AG (DE) 2004-01-07 EP disclosed
US-6518453-B1 In a process for stabilizing chemical compounds having at least one ethylenically unsaturated bond to undesired free radical polymerization, a nitroxyl radical and a chemical compound containing phosphorus in chemically bonded form are BASF AKTIENGESELLSCHAFT (DE) 2003-02-11 US disclosed
US-6518452-B1 A method of stabilizing an ester of (meth)acrylic acid against free-radical polymerization, comprising: adding to said ester of (meth)acrylic acid a polymerization inhibitor which comprises at least one nitroxyl radical and/or at least BASF AKTIENGESELLSCHAFT (DE) 2003-02-11 US disclosed
US-H1957-H1 ADDING A PHENOTHIAZINE-CONTAINING SOLUTION WHOSE SOLVENT COMPRISES AT LEAST 50% OF ITS WEIGHT OF AN N-ALKYLPYRROLIDONE BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 MAPT 192/4885GAA 4489/4885KDM4E 2885/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 MAPT 192/4885GAA 4489/4885KDM4E 2885/4885

“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.