SCHEMBL15041968

SCHEMBL15041968

COC(=O)C1CC(=O)N(C(O)CO)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL15042094 0.85 MAPT (0.43) BRD4MAPTALDH1A1GAASMN1; SMN2
SCHEMBL11622652 0.82 MAPT (0.66) BRD4MAPTALDH1A1GAACA1
SCHEMBL12667143 0.82 MAPT (0.66) BRD4MAPTALDH1A1GAACA1
SCHEMBL28693385 0.82 BRD4 (0.49) BRD4MAPTALDH1A1GAACA1
SCHEMBL15042032 0.81 MAPT (0.39) BRD4MAPTALDH1A1GAASMN1; SMN2
SCHEMBL15082381 0.81 MAPT (0.64) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL15042188 0.79 GBA2 (0.38) MAPTALDH1A1TSHR
SCHEMBL11997282 0.79 TSHR (0.60) BRD4MAPTALDH1A1GAACA1
SCHEMBL19295649 0.79 BRD4 (0.55) BRD4MAPTALDH1A1GAACA1
SCHEMBL28566909 0.77 BRD4 (0.57) BRD4MAPTALDH1A1GAACA1

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 BRD4 446/4885MAPT 254/4885ALDH1A1 40/4885

“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.