SCHEMBL490425

SCHEMBL490425

O=C(CCc1ccc(O)cc1O)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.63
TDP1 Q9NUW8 1/20 0.59
ALOX5 P09917 3/20 0.55
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL22577482 0.92 TDP1 (0.56) APPTDP1ALOX5
SCHEMBL490605 0.89 APP (0.67) APPTDP1ALOX5ESR1ESR2
SCHEMBL490961 0.86 APP (0.70) APPTDP1ALOX5ESR1ESR2
SCHEMBL28470050 0.85 TDP1 (0.67) APPTDP1ALOX5ESR1ESR2
SCHEMBL491012 0.82 APP (0.64) APPTDP1ALOX5ESR1ESR2
SCHEMBL9367557 0.80 TDP1 (0.92) APPTDP1ALOX5ESR1ESR2
SCHEMBL490557 0.80 TDP1 (0.72) APPTDP1ALOX5ESR1ESR2
SCHEMBL489685 0.80 ALOX5 (0.50) APPTDP1ALOX5ESR1ESR2
SCHEMBL490805 0.79 TDP1 (0.61) APPTDP1ALOX5ESR1ESR2
Ammonia Solution, Strong SCHEMBL11481573 0.78 TDP1 (0.89) APPTDP1ALOX5ESR1ESR2

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

“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.