SCHEMBL491064

SCHEMBL491064

COc1ccc(CC(C(=O)O)C(=O)O)c(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.54
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
AOC3 Q16853 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL28150234 0.87 KDM4E (0.49) LDHAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL2675348 0.85 KDM4E (0.48) LDHAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL2675352 0.85 KDM4E (0.48) LDHAKDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL490857 0.85 ALDH1A1 (0.53) LDHAKDM4EALDH1A1TDP1KMT2A
SCHEMBL490730 0.84 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL490774 0.81 LDHA (0.56) LDHAKDM4ESMN1; SMN2TDP1KMT2A
SCHEMBL27455732 0.79 PPARG (0.52) KDM4EALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL490447 0.79 POLB (0.47) KDM4EALDH1A1SMN1; SMN2TAAR1KMT2A
SCHEMBL6703683 0.79 AOC3 (0.47) KDM4EALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL30969123 0.79 HSD17B10 (0.57) KDM4EALDH1A1SMN1; SMN2TDP1GAA

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 10 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-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS 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 LDHA 612/4885KDM4E 3685/4885ALDH1A1 181/4885
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 LDHA 843/4885KDM4E 359/4885ALDH1A1 314/4885

“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.