SCHEMBL490831

SCHEMBL490831

COc1ccc(OC)c(OC)c1CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GPR17 Q13304 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL490405 0.81 AOC3 (0.53) MAPTTDP1LMNAFFAR1FFAR4
SCHEMBL490384 0.80 CYP4F2 (0.47) MAPTALDH1A1POLBKDM4EHPGD
SCHEMBL29999191 0.78 TDP1 (0.54) MAPTTDP1LMNAFFAR1FFAR4
SCHEMBL21317656 0.78 TDP1 (0.54) MAPTTDP1LMNAFFAR1FFAR4
SCHEMBL9053988 0.77 CA2 (0.41) MAPTTDP1L3MBTL1
SCHEMBL7366498 0.77 POLB (0.51) MAPTTDP1LMNAFFAR1FFAR4
SCHEMBL3967417 0.77 POLB (0.48) MAPTTDP1LMNAFFAR1FFAR4
SCHEMBL7821976 0.77 POLB (0.48) MAPTTDP1LMNAFFAR1FFAR4
SCHEMBL17847079 0.77 FFAR1 (0.41) MAPTLMNAFFAR1FFAR4ALDH1A1
SCHEMBL490984 0.77 ALOX5 (0.63) MAPTTDP1ALDH1A1

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 8 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
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO 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 MAPT 1644/4885TDP1 1049/4885LMNA 1949/4885
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 MAPT 1111/4885TDP1 2793/4885LMNA 565/4885

“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.