SCHEMBL491128

SCHEMBL491128

COc1ccc(CCC(=O)OCCc2ccccc2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.64
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 2/20 0.52
APP P05067 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL490819 0.90 ALOX5 (0.64) ALOX5TDP1MAPTAPPPOLB
SCHEMBL15313455 0.86 MAPT (0.56) ALOX5TDP1MAPTPOLBALDH1A1
SCHEMBL490426 0.86 ALOX5 (0.68) ALOX5TDP1MAPTAPP
SCHEMBL490974 0.85 ALOX5 (0.61) ALOX5TDP1MAPTAPPALDH1A1
SCHEMBL490896 0.85 ALOX5 (0.67) ALOX5TDP1MAPTAPPALDH1A1
SCHEMBL490534 0.83 TDP1 (0.70) ALOX5TDP1MAPTAPPALDH1A1
SCHEMBL490548 0.81 MEN1 (0.48) ALOX5TDP1MAPTPOLBALDH1A1
SCHEMBL491098 0.81 POLB (0.54) TDP1POLBALDH1A1TSHRNPC1
SCHEMBL490578 0.81 ALOX5 (0.62) ALOX5TDP1MAPTAPPPOLB
SCHEMBL490411 0.80 ALOX5 (0.71) ALOX5TDP1MAPTAPPPOLB

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 180/4885TDP1 1049/4885MAPT 1644/4885
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 905/4885TDP1 2793/4885MAPT 1111/4885

“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.