SCHEMBL490819

SCHEMBL490819

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.64
MTNR1B P49286 3/20 0.55
MTNR1A P48039 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
CAPN1 P07384 2/20 0.53
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.51
APP P05067 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TTR P02766 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
SCHEMBL491128 0.90 ALOX5 (0.64) ALOX5MTNR1BMTNR1ATDP1MAPT
SCHEMBL490426 0.86 ALOX5 (0.68) ALOX5TDP1MAPTAPPTTR
SCHEMBL490974 0.85 ALOX5 (0.61) ALOX5TDP1MAPTAPPALDH1A1
SCHEMBL490534 0.83 TDP1 (0.70) ALOX5TDP1MAPTAPPALDH1A1
SCHEMBL490896 0.82 ALOX5 (0.67) ALOX5TDP1MAPTAPPALDH1A1
SCHEMBL490664 0.81 CAPN1 (0.52) ALOX5MTNR1BMTNR1ACAPN1HSD17B10
SCHEMBL490458 0.81 HSD17B10 (0.55) MTNR1BMTNR1AHSD17B10ALDH1A1
SCHEMBL490578 0.81 ALOX5 (0.62) ALOX5TDP1MAPTAPPPOLB
SCHEMBL490871 0.81 ALOX5 (0.76) ALOX5TDP1APPALDH1A1TTR
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 180/4885MTNR1B 497/4885MTNR1A 623/4885
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 905/4885MTNR1B 1635/4885MTNR1A 2347/4885

“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.