SCHEMBL490699

SCHEMBL490699

O=C(CCc1cc(O)c(O)c(O)c1)OCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.76
ALOX5 P09917 4/20 0.71
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.64
TYR P14679 2/20 0.49
ALDH1A1 P00352 1/20 0.48
YWHAG P61981 1/20 0.48
FFAR1 O14842 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL9367557 0.87 TDP1 (0.92) APPALOX5TDP1L3MBTL1ALDH1A1
SCHEMBL490480 0.87 APP (1.00) APPALOX5TDP1L3MBTL1ALDH1A1
SCHEMBL490557 0.86 TDP1 (0.72) APPALOX5TDP1L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL11481573 0.85 TDP1 (0.89) APPALOX5TDP1L3MBTL1ALDH1A1
SCHEMBL11800697 0.85 ALOX5 (0.71) APPALOX5TDP1L3MBTL1ALDH1A1
SCHEMBL28182817 0.83 TDP1 (1.00) APPALOX5TDP1ALDH1A1FFAR1
SCHEMBL491005 0.83 ALOX5 (1.00) APPALOX5TDP1
SCHEMBL8528907 0.82 ALOX5 (0.67) APPALOX5TDP1L3MBTL1ALDH1A1
SCHEMBL22832718 0.82 TDP1 (0.81) APPALOX5TDP1L3MBTL1ALDH1A1
SCHEMBL490738 0.81 APP (0.74) APPALOX5TDP1

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 APP 1760/4885ALOX5 180/4885TDP1 1049/4885
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 APP 1846/4885ALOX5 905/4885TDP1 2793/4885

“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.