SCHEMBL491076

SCHEMBL491076

CCOC(=O)C(C)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
PDK1 Q15118 1/20 0.43
PTGS2 P35354 1/20 0.43
ACHE P22303 1/20 0.42
HPGD P15428 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
SCHEMBL490307 0.87 PKM (0.48) ALDH1A1KMT2AKDM4EGAA
SCHEMBL10040724 0.85 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL3458704 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL491275 0.82 HIF1A (0.58) ALDH1A1KMT2AL3MBTL1PTGS2ACHE
SCHEMBL11437458 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL27894547 0.80 MAPT (0.51) ALDH1A1KDM4EL3MBTL1MAPK1MAPT
SCHEMBL11212265 0.80 CA12 (0.40) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL490843 0.80 HSD17B2 (0.57) ALDH1A1GAAACHE
SCHEMBL27763638 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL490483 0.79 SMN1; SMN2 (0.46) ALDH1A1KMT2AKDM4EL3MBTL1MAPK1

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 7 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

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 ALDH1A1 181/4885KMT2A 4023/4885KDM4E 3685/4885
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 ALDH1A1 314/4885KMT2A 1522/4885KDM4E 359/4885

“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.