SCHEMBL8294064

SCHEMBL8294064

COCCCN1CC(C(=O)O)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
BRD4 O60885 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL1280029 0.92 POLB (0.50) POLBSMN1; SMN2CYP3A4TDP1HTT
SCHEMBL8294536 0.91 POLB (0.58) POLBSMN1; SMN2CYP3A4TDP1HTT
SCHEMBL15042007 0.87 BRD4 (0.62) POLBCYP3A4TDP1CYP2C19MAPT
SCHEMBL15082401 0.86 POLB (0.53) POLBSMN1; SMN2CYP3A4HTTCYP2C19
SCHEMBL8294063 0.85 CYP2C19 (0.57) POLBSMN1; SMN2CYP3A4HTTCYP2C19
SCHEMBL15082388 0.84 POLB (0.58) POLBSMN1; SMN2CYP3A4HTTCYP2C19
SCHEMBL31537583 0.84 POLB (0.60) POLBSMN1; SMN2HTTCYP2C19MAPT
SCHEMBL15082395 0.84 POLB (0.60) POLBSMN1; SMN2HTTCYP2C19MAPT
SCHEMBL31537602 0.84 POLB (0.60) POLBSMN1; SMN2HTTCYP2C19MAPT
SCHEMBL15042091 0.83 CYP3A4 (0.47) SMN1; SMN2CYP3A4TDP1CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8585779-B2 Composition comprising at least one 2-pyrrolidone functionalized in the 4 position with a carboxylic acid or amide, and at least one direct dye or a pigment for dyeing keratin fibres L'OREAL (FR) 2013-11-19 US disclosed
US-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2013-07-04 US disclosed
US-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2013-07-04 US disclosed
WO-2011154460-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2011-12-15 WO disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 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 (2 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-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES KRT18, ADH1A, ADH1C POLB 648/4885SMN1; SMN2 4384/4885CYP3A4 526/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 POLB 1261/4885SMN1; SMN2 199/4885CYP3A4 1059/4885

“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.