SCHEMBL996019

SCHEMBL996019

C=C[C@](C)(O)CC[C@@H](O)C(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL26624407 1.00 ALOX15 (0.48) ALOX15MEN1CYP3A4KMT2A
SCHEMBL8153609 0.77 ALOX15 (0.68) ALOX15MEN1CYP3A4KMT2A
SCHEMBL27529971 0.75 ALOX15 (0.61) ALOX15MEN1CYP3A4KMT2A
SCHEMBL942435 0.75 ALOX15 (0.47) ALOX15MEN1CYP3A4KMT2A
SCHEMBL11779305 0.74 ALOX15 (0.53) ALOX15MEN1CYP3A4KMT2A
SCHEMBL12025426 0.72
SCHEMBL11122805 0.72 ALOX15 (0.56) ALOX15MEN1CYP3A4KMT2A
SCHEMBL14721883 0.72 ALOX15 (0.43) ALOX15MEN1CYP3A4KMT2A
SCHEMBL722489 0.71 ALOX15 (0.85) ALOX15MEN1CYP3A4KMT2A
SCHEMBL30492702 0.71 ALOX15 (0.85) ALOX15MEN1CYP3A4KMT2A

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 ALOX15 2139/4885MEN1 4490/4885CYP3A4 1846/4885
US-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 ALOX15 2139/4885MEN1 4490/4885CYP3A4 1846/4885

“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.