SCHEMBL490318

SCHEMBL490318

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
GAA P10253 1/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.48
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
RECQL P46063 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL284443 0.87 ALDH1A1 (0.46) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL490524 0.87 LMNA (0.53) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL721288 0.86 ATM (0.51) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL490645 0.84 LMNA (0.50) ATMNPSR1LMNAALDH1A1CYP3A4
SCHEMBL284593 0.83 ALDH1A1 (0.43) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL31316557 0.81 GAA (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL9956554 0.81 GAA (0.49) ATMGAAXBP1NPSR1L3MBTL1
SCHEMBL490572 0.81 LMNA (0.49) ATMLMNAALDH1A1CYP3A4CA2
SCHEMBL490537 0.80 ALDH1A1 (0.55) ATML3MBTL1LMNAALDH1A1CYP3A4
SCHEMBL490552 0.80 ATM (0.46) 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 4 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

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.