SCHEMBL15041986

SCHEMBL15041986

CCCCCCCCCN1CC(C(=O)OC(C)C)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.43
BRD4 O60885 1/20 0.42
GBA1 P04062 1/20 0.41
LMNA P02545 2/20 0.39
BACE1 P56817 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL15041988 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15041977 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15042111 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL14477983 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15042066 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15041962 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL14477981 1.00 KMT2A (0.51) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15042024 0.99 KMT2A (0.52) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15041976 0.95 KMT2A (0.53) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1
SCHEMBL15042009 0.89 KMT2A (0.49) KMT2ACYP2C19MEN1L3MBTL1ALDH1A1

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 KMT2A 1638/4885CYP2C19 1868/4885MEN1 4569/4885

“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.