SCHEMBL5010728

SCHEMBL5010728

CC(C)CC(C)OC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
FBP1 P09467 1/20 0.40
PTGS2 P35354 2/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.39
MAOB P27338 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRAF P15056 1/20 0.38
GLO1 Q04760 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
SCHEMBL5010726 0.94 MAPT (0.46) MAPTSMN1; SMN2NPSR1NTSR1FBP1
SCHEMBL1856660 0.90 PTGS2 (0.43) MAPTSMN1; SMN2NPSR1NTSR1FBP1
SCHEMBL4000084 0.82 MEN1 (0.38) MAPTNPSR1LMNAALDH1A1MEN1
SCHEMBL2411848 0.79 KMT2A (0.59) MAPTSMN1; SMN2NPSR1PTGS2LMNA
SCHEMBL12663967 0.78 MEN1 (0.56) MAPTNPSR1LMNAGRIK1GRIK2
SCHEMBL12663975 0.78 MEN1 (0.56) MAPTNPSR1LMNAGRIK1GRIK2
SCHEMBL1856375 0.78 FBP1 (0.58) MAPTSMN1; SMN2FBP1PTGS2KDM4E
SCHEMBL11779893 0.76 GLO1 (0.58) FBP1LMNAKDM4EALDH1A1MEN1
SCHEMBL9476058 0.75 GLO1 (0.56) MAPTSMN1; SMN2FBP1KDM4EMAOB
SCHEMBL8556148 0.75 GLO1 (0.56) MAPTSMN1; SMN2FBP1KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS L'OREAL (FR) 2013-01-10 US disclosed
US-8323624-B2 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents L'OREAL (FR) 2012-12-04 US disclosed
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds L'OREAL (FR) 2008-01-10 US disclosed
US-20070218022-A1 Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds L'OREAL, PARIS, FRANCE 2007-09-20 US disclosed
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds L'OREAL (FR) 2007-08-23 US disclosed
US-7217821-B2 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds L'OREAL (FR) 2007-05-15 US disclosed
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents L'OREAL (FR) 2006-03-02 US disclosed
US-20040234464-A1 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds L'OREAL (FR) 2004-11-25 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 (6 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-20070218022-A1 Photostable sunscreen compositions comprising cinnamic acid ester UV-B filters, dibenzoylmethane UV-A filters and s-triazine compounds NISCH, SUN2, CDC73 MAPT 1002/4885SMN1; SMN2 4048/4885NPSR1 2993/4885
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents TYR, ARSA, TST MAPT 878/4885SMN1; SMN2 4437/4885NPSR1 2995/4885
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS TYR, ARSA, TST MAPT 878/4885SMN1; SMN2 4437/4885NPSR1 2995/4885
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds NISCH, SUN2, ERCC5 MAPT 724/4885SMN1; SMN2 3917/4885NPSR1 3035/4885
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds SUN2, ERCC5, NISCH MAPT 263/4885SMN1; SMN2 4202/4885NPSR1 3968/4885
US-20040234464-A1 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds TYR, MSH6, ERCC5 MAPT 1600/4885SMN1; SMN2 4434/4885NPSR1 3787/4885

“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.