SCHEMBL490477

SCHEMBL490477

CC(C(=O)OCCc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.56
ALOX5 P09917 5/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TTR P02766 2/20 0.52
ESR1 P03372 2/20 0.52
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
AKR1B10 O60218 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
ERBB2 P04626 1/20 0.52
LCK P06239 1/20 0.52

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
SCHEMBL490698 0.87 L3MBTL1 (0.61) APPALOX5CYP3A4ALOX15ALOX12
SCHEMBL490737 0.87 TTR (0.58) ALOX5CYP3A4ALOX15TTRKDM4E
SCHEMBL490944 0.87 TTR (0.58) ALOX5TTRAKR1B10AKR1B1BLM
SCHEMBL28169191 0.86 AKR1B10 (0.50) MAPK1TTRPTGS1AKR1B10ALDH1A1
SCHEMBL8066953 0.84 HCAR2 (0.50) CYP3A4MAPK1HSD17B10ESR1PTGS1
SCHEMBL19094376 0.84 HCAR2 (0.50) CYP3A4MAPK1HSD17B10ESR1PTGS1
SCHEMBL490555 0.83 ESR1 (0.50) APPALOX5CYP3A4MAPK1HSD17B10
SCHEMBL490959 0.82 APP (0.50) APPALOX5CYP3A4ALOX15ALOX12
SCHEMBL491003 0.81 ALOX5 (0.64) ALOX5TTRAKR1B10AKR1B1L3MBTL1
SCHEMBL490870 0.81 TTR (0.56) ALOX5TTRAKR1B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US claimed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN claimed
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed
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
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-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 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 (3 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 1760/4885ALOX5 180/4885CYP3A4 392/4885
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 1846/4885ALOX5 905/4885CYP3A4 63/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 APP 3781/4885ALOX5 573/4885CYP3A4 2870/4885

“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.