SCHEMBL491011

SCHEMBL491011

CC(C(=O)OCCc1ccccc1)c1ccc(O)c(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALOX5 P09917 6/20 0.47
APP P05067 2/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 1/20 0.44
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
AKR1B10 O60218 3/20 0.43
AKR1B1 P15121 3/20 0.43
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
TTR P02766 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL490804 0.89 ALOX5 (0.52) L3MBTL1ALOX5APPESR1ESR2
SCHEMBL490603 0.82 ALOX5 (0.53) L3MBTL1ALOX5APPESR1ESR2
SCHEMBL490423 0.82 ALOX5 (0.50) L3MBTL1ALOX5APPESR1ESR2
SCHEMBL490959 0.82 APP (0.50) L3MBTL1ALOX5APPESR1ESR2
SCHEMBL490698 0.79 L3MBTL1 (0.61) L3MBTL1ALOX5APPESR1ESR2
SCHEMBL490477 0.78 APP (0.56) L3MBTL1ALOX5APPESR1ESR2
SCHEMBL490360 0.77 ALDH1A1 (0.42) L3MBTL1ESR1ESR2CYP3A4HSD17B10
SCHEMBL8066953 0.77 HCAR2 (0.50) L3MBTL1ESR1ESR2CYP3A4MAPK1
SCHEMBL19094376 0.77 HCAR2 (0.50) L3MBTL1ESR1ESR2CYP3A4MAPK1
SCHEMBL114275 0.75 HCAR2 (0.54) L3MBTL1ALOX5APPESR1ESR2

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 5 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
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN 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 4336/4885ALOX5 180/4885APP 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 L3MBTL1 3978/4885ALOX5 905/4885APP 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.