SCHEMBL490951

SCHEMBL490951

CCOC(=O)C(Cc1ccc(O)c(O)c1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.53
ALOX12 P18054 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HIF1A Q16665 4/20 0.53
HSD17B10 Q99714 4/20 0.53
RECQL P46063 3/20 0.53
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ESR1 P03372 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
HTR2A P28223 2/20 0.53
PTGS2 P35354 2/20 0.53
TRPA1 O75762 2/20 0.53

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
SCHEMBL490506 0.84 ALOX15 (0.60) ALOX15ALOX12KDM4EMEN1CYP3A4
SCHEMBL490769 0.84 HSD17B2 (0.60) ALOX15ALOX12KDM4ETDP1MEN1
Etilevodopa SCHEMBL1069939 0.84 ALOX15 (0.64) ALOX15ALOX12KDM4EHIF1AHSD17B10
Etilevodopa SCHEMBL29634876 0.84 ALOX15 (0.64) ALOX15ALOX12KDM4EHIF1AHSD17B10
Etilevodopa SCHEMBL584493 0.84 ALOX15 (0.64) ALOX15ALOX12KDM4EHIF1AHSD17B10
SCHEMBL1312803 0.84 MMP8 (0.62) TDP1MEN1ALDH1A1TP53MAPK1
SCHEMBL490693 0.83 MMP8 (0.46) TDP1ALDH1A1ESR1TP53CYP3A4
Etilevodopa SCHEMBL7291700 0.83 ALOX15 (0.62) ALOX15ALOX12KDM4EHIF1AHSD17B10
Etilevodopa SCHEMBL7063390 0.83 ALOX15 (0.62) ALOX15ALOX12KDM4EHIF1AHSD17B10
Etilevodopa SCHEMBL28278862 0.83 ALOX15 (0.62) ALOX15ALOX12KDM4EHIF1AHSD17B10

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
EP-2238964-A2 Stabilised cosmetic compounds Henkel AG & Co. KGaA (DE) 2010-10-13 EP claimed
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
EP-2238964-A2 Stabilised cosmetic compounds Henkel AG & Co. KGaA (DE) 2010-10-13 EP disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT ALOX15 156/4885ALOX12 140/4885KDM4E 3685/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 ALOX15 1546/4885ALOX12 1448/4885KDM4E 359/4885

“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.