SCHEMBL490604

SCHEMBL490604

O=C(OCCc1ccccc1)C(Cc1ccc(O)c(O)c1)C(=O)OCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.64
ALOX15 P16050 4/20 0.53
HSD17B10 Q99714 3/20 0.53
PTGS2 P35354 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX12 P18054 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
EGFR P00533 2/20 0.53
LCK P06239 2/20 0.53
FYN P06241 2/20 0.53
PTGS1 P23219 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HIF1A Q16665 2/20 0.53
ALOX5 P09917 2/20 0.53
ESR1 P03372 2/20 0.53
SLC6A2 P23975 2/20 0.53
MEN1 O00255 1/20 0.53
AKR1B10 O60218 1/20 0.53
GMNN O75496 1/20 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
SCHEMBL490072 0.87 L3MBTL1 (0.62) APPALOX15HSD17B10PTGS2CYP3A4
SCHEMBL491091 0.85 TTR (0.58) APPALOX15CYP3A4ALOX12KDM4E
SCHEMBL490626 0.85 TTR (0.58) CYP3A4TDP1ALOX5ALDH1A1TTR
SCHEMBL491102 0.83 APP (0.50) APPALOX15HSD17B10PTGS2CYP3A4
SCHEMBL491062 0.82 ESR1 (0.51) APPALOX15HSD17B10PTGS2CYP3A4
SCHEMBL490396 0.81 EGFR (0.55) APPALOX15HSD17B10PTGS2CYP3A4
SCHEMBL20672138 0.80 ESR1 (0.56) APPALOX5ESR1AKR1B10ALDH1A1
SCHEMBL490927 0.80 LDHA (0.65) ALOX5TTRKMT2AL3MBTL1CHRM1
SCHEMBL20914967 0.79 YWHAG (0.82) APPALOX15HSD17B10PTGS2CYP3A4
SCHEMBL491006 0.79 L3MBTL1 (0.49) APPALOX15HSD17B10PTGS2CYP3A4

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 9 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
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-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION 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 1760/4885ALOX15 156/4885HSD17B10 364/4885
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 1846/4885ALOX15 1546/4885HSD17B10 699/4885

“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.