SCHEMBL15042119

SCHEMBL15042119

C=C(OCC)C1CC(=O)N(C)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 1/20 0.37
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28956225 0.81 BRD4 (0.67) BRD4SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL12667142 0.81 BRD4 (0.67) BRD4SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL30282498 0.81 BRD4 (0.67) BRD4SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL21948726 0.74 BRD4 (0.56) BRD4SMN1; SMN2P2RX7ALDH1A1MAPT
SCHEMBL15042223 0.72 BRD4 (0.63) BRD4SMN1; SMN2P2RX7ALDH1A1KDM4E
SCHEMBL3823508 0.72 BRD4 (0.58) BRD4SMN1; SMN2ACACBP2RX7CYP1A2
SCHEMBL15042006 0.72 BRD4 (0.58) BRD4SMN1; SMN2ACACBP2RX7MAPT
SCHEMBL3826958 0.70 BRD4 (0.59) BRD4SMN1; SMN2ACACBP2RX7CYP1A2
SCHEMBL12368059 0.70 BRD4 (0.59) BRD4SMN1; SMN2CYP2C19ALDH1A1KDM4E
SCHEMBL6220495 0.69 ALDH1A1 (0.51) BRD4SMN1; SMN2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BRD4 446/4885SMN1; SMN2 4418/4885ACACB 1509/4885

“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.