SCHEMBL490945

SCHEMBL490945

COc1cc(CCC(=O)OCCc2ccccc2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.77
APP P05067 2/20 0.74
GAA P10253 2/20 0.61
POLB P06746 1/20 0.61
OR51E2 Q9H255 1/20 0.59
TDP1 Q9NUW8 2/20 0.59
TRPV1 Q8NER1 3/20 0.59
TTR P02766 1/20 0.59
MET P08581 2/20 0.55
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 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
SCHEMBL490738 0.90 APP (0.74) ALOX5APPGAAPOLBTDP1
SCHEMBL490871 0.90 ALOX5 (0.76) ALOX5APPTDP1TTRALDH1A1
SCHEMBL12300533 0.90 APP (0.78) ALOX5APPOR51E2METTSHR
SCHEMBL30168268 0.88 ALOX5 (0.76) ALOX5APPGAAPOLBTDP1
SCHEMBL17189129 0.88 ALOX5 (0.76) ALOX5APPGAAPOLBTDP1
SCHEMBL491005 0.87 ALOX5 (1.00) ALOX5APPGAATDP1TTR
SCHEMBL16661624 0.87 ALOX5 (0.65) ALOX5APPGAAOR51E2TDP1
SCHEMBL16661623 0.87 ALOX5 (0.65) ALOX5APPGAAOR51E2TDP1
Dihydroferulic Acid Propyl Ester SCHEMBL22353585 0.85 ALOX5 (0.63) ALOX5APPPOLBOR51E2TRPV1
SCHEMBL490480 0.85 APP (1.00) ALOX5APPGAATDP1TRPV1

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 4 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

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 ALOX5 180/4885APP 1760/4885GAA 940/4885
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 ALOX5 905/4885APP 1846/4885GAA 309/4885

“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.