SCHEMBL995152

SCHEMBL995152

CC(C)CCCC(C)(O)CCBr

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 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
SCHEMBL995151 1.00 PTPN2 (0.41) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL11668697 0.85 ALOX15 (0.47) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL8212898 0.85 MEN1 (0.47) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL996285 0.84 MEN1 (0.42) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL13619175 0.79 PTPN1 (0.42) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL5018789 0.79 PTPN1 (0.42) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL8207766 0.79 ALDH1A1 (0.48) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL10340685 0.77 MEN1 (0.60) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL996571 0.77 PTPN2 (0.41) PTPN2PTPN1CDC25BMEN1CYP3A4
SCHEMBL5201000 0.77 MEN1 (0.60) PTPN2PTPN1CDC25BMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015397-A1 Selective Aliphatic C-H Oxidation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-20 US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 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-20110015397-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 PTPN2 1593/4885PTPN1 1257/4885CDC25B 4237/4885
US-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 PTPN2 1593/4885PTPN1 1257/4885CDC25B 4237/4885

“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.