SCHEMBL490608

SCHEMBL490608

CCOC(=O)CCc1ccc(OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
AOC3 Q16853 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL14721724 0.89 ALDH1A1 (0.48) CYP4F2CYP4A11AOC3ALDH1A1KDM4E
SCHEMBL490337 0.87 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1KDM4EKMT2A
SCHEMBL2435160 0.86 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1KDM4EKMT2A
SCHEMBL490384 0.83 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1KDM4EKMT2A
SCHEMBL27946009 0.82 AOC3 (0.54) AOC3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL14725363 0.81 AOC3 (0.42) AOC3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL490578 0.81 ALOX5 (0.62) ALDH1A1KDM4ESMN1; SMN2TDP1TAAR1
SCHEMBL14725279 0.81 AOC3 (0.42) AOC3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL10753457 0.81 AOC3 (0.53) AOC3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL490405 0.81 AOC3 (0.53) AOC3ALDH1A1KDM4EKMT2AMEN1

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 11 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
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN 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
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN 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-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION 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 CYP4F2 287/4885CYP4A11 486/4885AOC3 116/4885
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 CYP4F2 1045/4885CYP4A11 256/4885AOC3 1005/4885

“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.