SCHEMBL490411

SCHEMBL490411

COc1cc(CCC(=O)OCCc2ccccc2)cc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.71
TDP1 Q9NUW8 2/20 0.66
APP P05067 2/20 0.60
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 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
SCHEMBL490534 0.88 TDP1 (0.70) ALOX5TDP1APPMAPTRAB9A
SCHEMBL490896 0.85 ALOX5 (0.67) ALOX5TDP1APPMAPTRAB9A
SCHEMBL9367557 0.84 TDP1 (0.92) ALOX5TDP1APPMAPTRAB9A
SCHEMBL491005 0.83 ALOX5 (1.00) ALOX5TDP1APPMAPTGAA
SCHEMBL491168 0.83 ALOX5 (0.81) ALOX5TDP1APPMAPTGAA
Ammonia Solution, Strong SCHEMBL11481573 0.83 TDP1 (0.89) ALOX5TDP1APPMAPTRAB9A
SCHEMBL28532215 0.82 KMT2A (0.61) ALOX5TDP1MAPTGAARAB9A
SCHEMBL15164347 0.82 F2RL1 (0.62) ALOX5TDP1APPMAPTGAA
SCHEMBL28182817 0.81 TDP1 (1.00) ALOX5TDP1APPMAPTALDH1A1
SCHEMBL490974 0.81 ALOX5 (0.61) ALOX5TDP1APPMAPTALDH1A1

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 1049/4885APP 1760/4885
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 2793/4885APP 1846/4885

“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.