SCHEMBL490805

SCHEMBL490805

O=C(CCc1cccc(O)c1O)OCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
APP P05067 2/20 0.60
ALOX5 P09917 3/20 0.56
IAPP P10997 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BID P55957 1/20 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
SCHEMBL28470050 0.90 TDP1 (0.67) TDP1APPALOX5L3MBTL1ESR1
SCHEMBL491012 0.89 APP (0.64) TDP1APPALOX5L3MBTL1ESR1
SCHEMBL28351949 0.85 IAPP (0.57) TDP1APPALOX5IAPP
SCHEMBL490961 0.81 APP (0.70) TDP1APPALOX5L3MBTL1ESR1
SCHEMBL9367557 0.81 TDP1 (0.92) TDP1APPALOX5L3MBTL1ESR1
Phenyl Propionic Acid SCHEMBL5073243 0.80 KEAP1 (0.63) IAPPMAPK1SMN1; SMN2BIDBCL2L1
Ammonia Solution, Strong SCHEMBL11481573 0.80 TDP1 (0.89) TDP1APPALOX5L3MBTL1ESR1
SCHEMBL490699 0.79 APP (0.76) TDP1APPALOX5L3MBTL1ESR1
SCHEMBL22832718 0.79 TDP1 (0.81) TDP1APPALOX5L3MBTL1ESR1
SCHEMBL490584 0.79 IAPP (0.64) IAPPALDH1A1CYP3A4SMN1; SMN2

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 TDP1 1049/4885APP 1760/4885ALOX5 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 TDP1 2793/4885APP 1846/4885ALOX5 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.