SCHEMBL490072

SCHEMBL490072

O=C(OCCc1ccccc1)C(Cc1cc(O)c(O)c(O)c1)C(=O)OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
APP P05067 2/20 0.51
TYR P14679 3/20 0.48
ESR1 P03372 2/20 0.47
ESR2 Q92731 1/20 0.47
ALOX5 P09917 5/20 0.46
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL490604 0.87 APP (0.64) L3MBTL1APPESR1ESR2ALOX5
SCHEMBL491062 0.87 ESR1 (0.51) L3MBTL1APPTYRESR1ESR2
SCHEMBL491091 0.81 TTR (0.58) L3MBTL1APPALOX5CYP3A4ALOX15
SCHEMBL491102 0.81 APP (0.50) L3MBTL1APPESR1ESR2ALOX5
SCHEMBL491006 0.80 L3MBTL1 (0.49) L3MBTL1APPESR1ESR2ALOX5
SCHEMBL490846 0.80 ALOX5 (0.52) L3MBTL1APPTYRESR1ESR2
SCHEMBL490381 0.80 ALOX5 (0.48) L3MBTL1ALOX5CYP3A4ALOX12TDP1
SCHEMBL490396 0.79 EGFR (0.55) L3MBTL1APPESR1ESR2ALOX5
SCHEMBL489685 0.79 ALOX5 (0.50) L3MBTL1APPTYRESR1ESR2
SCHEMBL490626 0.79 TTR (0.58) ALOX5CYP3A4TDP1ALDH1A1TTR

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 L3MBTL1 4336/4885APP 1760/4885TYR 186/4885
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 L3MBTL1 3978/4885APP 1846/4885TYR 707/4885

“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.