SCHEMBL491102

SCHEMBL491102

O=C(OCCc1ccccc1)C(Cc1cc(O)c(O)cc1O)C(=O)OCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALOX5 P09917 5/20 0.47
CYP3A4 P08684 4/20 0.47
HSD17B10 Q99714 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
ALOX15 P16050 3/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 3/20 0.47
AKR1B10 O60218 3/20 0.47
AKR1B1 P15121 3/20 0.47
ALOX12 P18054 2/20 0.47
ESR1 P03372 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47

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
SCHEMBL490396 0.86 EGFR (0.55) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL489685 0.86 ALOX5 (0.50) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL490604 0.83 APP (0.64) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL490846 0.82 ALOX5 (0.52) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL491006 0.82 L3MBTL1 (0.49) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL490072 0.81 L3MBTL1 (0.62) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL491062 0.79 ESR1 (0.51) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL490961 0.78 APP (0.70) APPL3MBTL1ALOX5CYP3A4HSD17B10
SCHEMBL491279 0.77 ALOX5 (0.51) ALOX5AKR1B10AKR1B1MEN1KMT2A
SCHEMBL490626 0.75 TTR (0.58) ALOX5CYP3A4TDP1ALDH1A1NFKB1

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 10 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
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
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT APP 1760/4885L3MBTL1 4336/4885ALOX5 180/4885
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 APP 1846/4885L3MBTL1 3978/4885ALOX5 905/4885

“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.