SCHEMBL4000082

SCHEMBL4000082

CC(C)CC(C)OC(=O)C(=Cc1ccc(N)cc1)C(=O)OC(C)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
PPID Q08752 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL4000084 0.93 MEN1 (0.38) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL12663967 0.86 MEN1 (0.56) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL12663975 0.86 MEN1 (0.56) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL4007797 0.84 MEN1 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL5010726 0.80 MAPT (0.46) LMNAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL2155002 0.80 MEN1 (0.49) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL13240379 0.78 NPR3 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL4007800 0.77 TP53 (0.41) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6930099 0.75 MAPT (0.49) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6924253 0.74 MEN1 (0.72) MEN1KMT2ALMNAMAPTNPSR1

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 14 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
EP-2193784-A1 Cosmetic compositions containing an ester derivative of 2-pyrrolidinone 4-carboxy and a lipophilic triazine filter, with use of said derivative as a solvent of a lipophilic triazine filter L'OREAL (FR) 2010-06-09 EP disclosed
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO disclosed
WO-2009074409-A1 S-TRIAZINE COMPOUNDS CONTAINING ONE AMINOSILOXANE GROUP AND TWO PARTICULAR PARA-AMINOBENZALMALONATE GROUPS; COSMETIC COMPOSITIONS CONTAINING SAID DERIVATIVES; USES OF SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2009-06-18 WO 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
EP-1815886-A2 Compositions containing a UV-A filter of the dibenzoylmethane type and a s-triazine derivative; process of photostabilisation L'Oréal (FR) 2007-08-08 EP disclosed
EP-1815884-A2 Compositions containing an UV-B filter of the cinnamic acid ester type, a UV-A filter of the dibenzoylmethane type and a derivative of s-triazine; process of photostabilisation L'Oréal (FR) 2007-08-08 EP disclosed
US-7217821-B2 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds L'OREAL (FR) 2007-05-15 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 MEN1 2458/4885KMT2A 2415/4885LMNA 849/4885
US-20060045859-A1 S-triazine sunscreens bearing hindered para-aminobenzalmalonate/para-aminobenzalmalonamide and aminobenzoate/aminobenzamide substituents TYR, ARSA, TST MEN1 3562/4885KMT2A 515/4885LMNA 1587/4885
US-20130012373-A1 S-TRIAZINE SUNSCREENS BEARING HINDERED PARA-AMINOBENZALMALONATE/PARA-AMINOBENZALMALONAMIDE AND AMINOBENZOATE/AMINOBENZAMIDE SUBSTITUENTS TYR, ARSA, TST MEN1 3562/4885KMT2A 515/4885LMNA 1587/4885
US-20080008669-A1 Photostable sunscreen compositions comprising cinnamate ester UV-B filters and s-triazine compounds NISCH, SUN2, ERCC5 MEN1 2386/4885KMT2A 2590/4885LMNA 862/4885
US-20070196294-A1 Photostable sunscreen compositions comprising dibenzoylmethane compound UV-A filters and s-triazine compounds SUN2, ERCC5, NISCH MEN1 2622/4885KMT2A 1366/4885LMNA 2484/4885
US-20040234464-A1 Photoprotective cosmetic compositions comprising para-aminobenzalmalonate-substituted s-triazine compounds TYR, MSH6, ERCC5 MEN1 1974/4885KMT2A 2460/4885LMNA 1075/4885

“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.