SCHEMBL490552

SCHEMBL490552

CCOC(=O)C(C)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MT-CO2 P00403 1/20 0.41
ESRRA P11474 1/20 0.40
CA12 O43570 2/20 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
SCHEMBL30979216 0.87 ATM (0.42) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL490454 0.85 MT-CO2 (0.52) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9956554 0.84 GAA (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL31316557 0.84 GAA (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL31152137 0.83 ATM (0.43) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL30559748 0.83 HMGCR (0.44) ATMGAANPSR1ALDH1A1NR1I2
SCHEMBL490322 0.83 HMGCR (0.44) ATMGAANPSR1ALDH1A1NR1I2
SCHEMBL490910 0.83 CA12 (0.53) GAAALDH1A1LMNAALOX15HSD17B10
SCHEMBL28853653 0.82 ATM (0.43) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL29160645 0.81 ATM (0.57) ATMGAAXBP1NPSR1L3MBTL1

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 ATM 1681/4885GAA 940/4885XBP1 1244/4885
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 ATM 3369/4885GAA 309/4885XBP1 2105/4885

“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.