SCHEMBL491004

SCHEMBL491004

CCOC(=O)CCc1cc(O)c(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
APP P05067 2/20 0.50
CYP4Z1 Q86W10 1/20 0.49
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.44
CYP1A2 P05177 1/20 0.44
SERPINE1 P05121 1/20 0.43
SELP P16109 2/20 0.43
SELE P16581 2/20 0.43
SELL P14151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
IAPP P10997 1/20 0.41

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
SCHEMBL2302006 0.86 CYP4F2 (0.54) CYP4F2CYP4A11APPCYP4Z1ALOX5
SCHEMBL889921 0.86 CYP4F2 (0.57) CYP4F2CYP4A11APPCYP4Z1ALOX5
SCHEMBL3799726 0.85 CYP4F2 (0.50) CYP4F2CYP4A11APPCYP4Z1ALOX5
SCHEMBL3866618 0.84 CYP4F2 (0.56) CYP4F2CYP4A11APPCYP4Z1ALOX5
SCHEMBL490704 0.84 CYP4F2 (0.59) CYP4F2CYP4A11APPCYP4Z1CYP3A4
SCHEMBL27486195 0.83 CYP4F2 (0.54) CYP4F2CYP4A11APPCYP4Z1ALOX5
SCHEMBL30291871 0.83 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL490911 0.83 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL16049214 0.83 CYP4F2 (0.54) CYP4F2CYP4A11APPCYP4Z1ALOX5
SCHEMBL29024345 0.81 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1CYP1A2

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 8 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 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-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 CYP4F2 287/4885CYP4A11 486/4885APP 1760/4885
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 CYP4F2 1045/4885CYP4A11 256/4885APP 1846/4885

“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.