SCHEMBL8084223

SCHEMBL8084223

CCCCCCCCCCN1CC(C(=O)O)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
GBA1 P04062 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL121394 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL14477978 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL119623 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL1283867 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL8076306 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL14477954 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL15082405 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL8084202 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL2890516 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19
SCHEMBL14477956 1.00 POLB (0.56) POLBSMN1; SMN2L3MBTL1MEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000512663-A 2000-09-26 JP claimed
EP-1003469-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-05-31 EP claimed
WO-1997030687-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-08-28 WO claimed
EP-2734180-B1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES OREAL (FR) 2021-03-31 EP disclosed
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2014-10-02 US disclosed
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2014-10-02 US disclosed
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-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-2013010590-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2013-01-24 WO disclosed
WO-2013011094-A2 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2013-01-24 WO disclosed
WO-2013001250-A2 COSMETIC COMPOSITION INCLUDING A FUNCTIONALISED OIL AND A SOLVENT, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2013-01-03 WO 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
WO-2011154508-A1 COSMETIC COMPOSITION COMPRISING A POLYMER AND A 4-CARBOXY-2-PYRROLIDINONE DERIVATIVE, COSMETIC TREATMENT PROCESS AND COMPOUND L'OREAL (FR) 2011-12-15 WO disclosed
EP-1003469-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-05-31 EP disclosed
WO-1997030687-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-08-28 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 4384/4885L3MBTL1 4871/4885
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES KRT18, LAGE3, TYR POLB 2028/4885SMN1; SMN2 4825/4885L3MBTL1 4454/4885

“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.