SCHEMBL490804

SCHEMBL490804

CC(C(=O)OCCc1ccccc1)c1cccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
APP P05067 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL491011 0.89 L3MBTL1 (0.49) ALOX5L3MBTL1ESR1ESR2APP
SCHEMBL490959 0.82 APP (0.50) ALOX5L3MBTL1ESR1ESR2APP
SCHEMBL490603 0.80 ALOX5 (0.53) ALOX5L3MBTL1ESR1ESR2APP
SCHEMBL490423 0.80 ALOX5 (0.50) ALOX5L3MBTL1ESR1ESR2APP
SCHEMBL490582 0.79 CA1 (0.51) LMNANPC1ALDH1A1CYP3A4HPGD
SCHEMBL490698 0.79 L3MBTL1 (0.61) ALOX5L3MBTL1ESR1ESR2APP
SCHEMBL490311 0.77 ALOX5 (0.47) ALOX5AKR1B10AKR1B1TAAR1NPC1
SCHEMBL19094376 0.77 HCAR2 (0.50) L3MBTL1ESR1ESR2HCAR2AKR1B10
SCHEMBL8066953 0.77 HCAR2 (0.50) L3MBTL1ESR1ESR2HCAR2AKR1B10
SCHEMBL2934914 0.76 CA1 (0.46) LMNAALDH1A1TP53CYP3A4HPGD

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 ALOX5 180/4885L3MBTL1 4336/4885ESR1 2287/4885
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 905/4885L3MBTL1 3978/4885ESR1 1640/4885

“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.