SCHEMBL490730

SCHEMBL490730

CCOC(=O)C(Cc1ccc(OC)c(OC)c1OC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.42
AOC3 Q16853 1/20 0.41
MAPT P10636 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL491027 0.87 LMNA (0.52) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL491064 0.84 LDHA (0.54) ALDH1A1SMN1; SMN2KDM4EGAATDP1
SCHEMBL490064 0.83 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2KDM4EGAA
SCHEMBL490447 0.80 POLB (0.47) ALDH1A1SMN1; SMN2KDM4ETAAR1KMT2A
SCHEMBL490721 0.80 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL2673221 0.78 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2GAATDP1
SCHEMBL490808 0.78 HSD17B10 (0.55) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL491054 0.78 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL1186888 0.77 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL491115 0.77 CYP1A2 (0.48) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1

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 6 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

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 181/4885TSHR 4679/4885SMN1; SMN2 1624/4885
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 314/4885TSHR 4810/4885SMN1; SMN2 4479/4885

“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.