SCHEMBL490482

SCHEMBL490482

CCCCC(CC)COC(=O)C(C)c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 3/20 0.50
CA2 P00918 1/20 0.50
MAPK1 P28482 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 3/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
RECQL P46063 1/20 0.42
CYP2C19 P33261 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
SCHEMBL490572 0.92 LMNA (0.49) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490645 0.90 LMNA (0.50) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490492 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490125 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490512 0.85 TDP1 (0.61) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490992 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490524 0.84 LMNA (0.53) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490723 0.83 TDP1 (0.53) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL491084 0.82 TDP1 (0.53) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL490537 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2MAPK1TSHR

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 ALDH1A1 181/4885CYP3A4 392/4885CA2 1558/4885
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 314/4885CYP3A4 63/4885CA2 2547/4885

“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.