SCHEMBL490555

SCHEMBL490555

CC(C(=O)OCCc1ccccc1)c1cc(O)cc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
ALOX5 P09917 4/20 0.46
AKR1B10 O60218 3/20 0.46
AKR1B1 P15121 3/20 0.46
MAOB P27338 1/20 0.45
APP P05067 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
ADRB2 P07550 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL490698 0.87 L3MBTL1 (0.61) ESR1ESR2L3MBTL1ALOX5AKR1B10
SCHEMBL19094376 0.86 HCAR2 (0.50) ESR1ESR2L3MBTL1AKR1B10AKR1B1
SCHEMBL8066953 0.86 HCAR2 (0.50) ESR1ESR2L3MBTL1AKR1B10AKR1B1
SCHEMBL491003 0.83 ALOX5 (0.64) L3MBTL1ALOX5AKR1B10AKR1B1
SCHEMBL490409 0.83 ALOX5 (0.47) L3MBTL1ALOX5TDP1NPC1ALDH1A1
SCHEMBL490477 0.83 APP (0.56) ESR1ESR2L3MBTL1ALOX5AKR1B10
SCHEMBL491167 0.81 ALOX5 (0.51) L3MBTL1ALOX5AKR1B10AKR1B1TDP1
SCHEMBL490423 0.79 ALOX5 (0.50) ESR1ESR2L3MBTL1ALOX5AKR1B10
SCHEMBL490603 0.79 ALOX5 (0.53) ESR1ESR2L3MBTL1ALOX5AKR1B10
SCHEMBL490737 0.79 TTR (0.58) L3MBTL1ALOX5AKR1B10AKR1B1MAOB

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 ESR1 2287/4885ESR2 1264/4885L3MBTL1 4336/4885
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 ESR1 1640/4885ESR2 2176/4885L3MBTL1 3978/4885

“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.