SCHEMBL18286183

SCHEMBL18286183

COC(=O)Cc1cccc(C)c1.[Ar]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.55
CTBP2 P56545 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
HSP90AB1 P08238 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 2/20 0.46
PKM P14618 1/20 0.46
MAPK8 P45983 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL1107144 0.98 SLC7A5 (0.56) SLC7A5CTBP2POLBALDH1A1GAA
SCHEMBL12400239 0.87 SLC7A5 (0.68) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL11553441 0.85 CTBP2 (0.56) CTBP2POLBALDH1A1L3MBTL1NPC1
SCHEMBL1107143 0.82 KMT2A (0.56) CTBP2POLBALDH1A1L3MBTL1NPC1
SCHEMBL25463180 0.82 CTBP2 (0.53) CTBP2POLBALDH1A1L3MBTL1NPC1
SCHEMBL4394735 0.81 SLC7A5 (0.62) SLC7A5ALDH1A1GAAGFERHSP90AB1
Toluene SCHEMBL27935015 0.81 KMT2A (0.57) SLC7A5ALDH1A1HSP90AB1L3MBTL1CYP4F2
SCHEMBL7642195 0.81 CTBP2 (0.51) CTBP2POLBALDH1A1L3MBTL1NPC1
SCHEMBL11553448 0.81 CTBP2 (0.51) SLC7A5CTBP2POLBALDH1A1L3MBTL1
SCHEMBL1107166 0.81 SIRT2 (0.52) ALDH1A1L3MBTL1CYP4F2CYP4A11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 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 (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-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 SLC7A5 3485/4885CTBP2 1415/4885POLB 186/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 SLC7A5 3485/4885CTBP2 1415/4885POLB 186/4885

“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.