SCHEMBL490610

SCHEMBL490610

CCOC(=O)C(Cc1c(OC)cc(OC)cc1OC)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DPP4 P27487 1/20 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
SCHEMBL490660 0.83 LDHA (0.53) ALDH1A1MAPK1CYP3A4PTPN1SMN1; SMN2
SCHEMBL9054624 0.82 TDP1 (0.47) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL491115 0.82 CYP1A2 (0.48) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL491054 0.80 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL490334 0.80 MAPK1 (0.51) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL490502 0.80 TDP1 (0.50) ALDH1A1TSHRMAPK1TDP1CYP3A4
SCHEMBL491068 0.78 PTPN1 (0.51) PTPN1
SCHEMBL490808 0.77 HSD17B10 (0.55) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL490064 0.76 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL3773761 0.76 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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 4679/4885MAPK1 1708/4885
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 4810/4885MAPK1 3478/4885

“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.