SCHEMBL15042018

SCHEMBL15042018

CCOC(=O)C1CC(=O)N(CC(C)O)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 8/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL15042019 0.90 POLB (0.66) POLBALDH1A1HPGDTSHRMAPK1
SCHEMBL15042180 0.87 POLB (0.48) POLBALDH1A1HPGDTSHRMAPK1
SCHEMBL3380299 0.86 ALDH1A1 (0.41) POLBALDH1A1HPGDTSHRMEN1
SCHEMBL15042027 0.85 BRD4 (0.55) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL15042126 0.84 POLB (0.46) POLBALDH1A1MEN1KMT2ACYP2C19
SCHEMBL15042148 0.83 ALDH1A1 (0.45) POLBALDH1A1HPGDTSHRMAPK1
SCHEMBL15042044 0.81 BRD4 (0.45) POLBALDH1A1HPGDTSHRMAPK1
SCHEMBL15082379 0.80 POLB (0.79) POLBALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL15042172 0.80 POLB (0.44) POLBALDH1A1HPGDTSHRMAPK1
SCHEMBL12145251 0.79 POLB (0.68) POLBALDH1A1HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579841-B1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS ORÉAL L (FR) 2016-09-14 EP disclosed
US-8771376-B2 Composition comprising at least one 2-pyrrolidone functionalized with an ester or amide radical, and at least one pigment or direct dye, for dyeing keratin materials L'OREAL (FR) 2014-07-08 US disclosed
US-8771376-B2 Composition comprising at least one 2-pyrrolidone functionalized with an ester or amide radical, and at least one pigment or direct dye, for dyeing keratin materials L'OREAL (FR) 2014-07-08 US disclosed
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2013-06-20 US disclosed
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2013-06-20 US disclosed
WO-2011154458-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2011-12-15 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-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS KRT18, ADH1A, ADH5 POLB 574/4885ALDH1A1 40/4885HPGD 212/4885

“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.