SCHEMBL15041966

SCHEMBL15041966

CCCCCCCCCN1CC(C(=O)OCCCC)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.43
GBA1 P04062 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 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
SCHEMBL15041967 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL12667790 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042049 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL12668086 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042071 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042055 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042003 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042105 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042108 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL15042143 0.99 L3MBTL1 (0.50) ALDH1A1L3MBTL1CYP2C19MEN1KMT2A

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 ALDH1A1 40/4885L3MBTL1 4871/4885CYP2C19 1868/4885

“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.