SCHEMBL490626

SCHEMBL490626

COc1cc(CC(C(=O)OCCc2ccccc2)C(=O)OCCc2ccccc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
ALOX5 P09917 3/20 0.55
TRPV1 Q8NER1 3/20 0.55
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
FOS P01100 1/20 0.52
JUN P05412 1/20 0.52
NR3C1 P04150 1/20 0.52
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LDHA P00338 1/20 0.51
MET P08581 2/20 0.51
MMP1 P03956 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL491091 0.90 TTR (0.58) TTRALOX5GAATSHRNFKB1
SCHEMBL490927 0.90 LDHA (0.65) TTRALOX5LDHA
SCHEMBL490604 0.85 APP (0.64) TTRALOX5TRPV1ALDH1A1TSHR
SCHEMBL490146 0.85 ALOX5 (0.54) TTRALOX5ALDH1A1TDP1LDHA
SCHEMBL30168268 0.82 ALOX5 (0.76) TTRALOX5TRPV1GAAPOLB
SCHEMBL934658 0.82 FOS (0.58) TTRALOX5GAAPOLBFOS
SCHEMBL17189129 0.82 ALOX5 (0.76) TTRALOX5TRPV1GAAPOLB
SCHEMBL490769 0.81 HSD17B2 (0.60) TTRALOX5GAAFOSJUN
SCHEMBL934471 0.81 FOS (0.64) TTRALOX5GAAFOSJUN
SCHEMBL490945 0.81 ALOX5 (0.77) TTRALOX5TRPV1GAAPOLB

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 TTR 423/4885ALOX5 180/4885TRPV1 4201/4885
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 TTR 3973/4885ALOX5 905/4885TRPV1 759/4885

“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.