SCHEMBL490817

SCHEMBL490817

COc1ccc(OC)c(C(C)C(=O)OCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ACHE P22303 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX5 P09917 3/20 0.49
TTR P02766 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA1A P35348 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL491127 0.90 MEN1 (0.52) CA1CA2ACHEMEN1KMT2A
SCHEMBL490424 0.86 ALOX5 (0.52) MEN1KMT2AALOX5TTRRAB9A
SCHEMBL490973 0.85 ALOX5 (0.47) CA1CA2ACHEMEN1KMT2A
SCHEMBL490894 0.82 ALOX5 (0.51) MEN1KMT2AALOX5TTRRAB9A
SCHEMBL490311 0.81 ALOX5 (0.47) CA1CA2ACHEALOX5TTR
SCHEMBL490577 0.81 ALOX5 (0.47) KMT2AALOX5TTR
SCHEMBL490533 0.80 NPC1 (0.52) CA1CA2ACHEMEN1KMT2A
SCHEMBL490457 0.80 ADRA1A (0.53) CA1CA2ACHEMEN1KMT2A
SCHEMBL490870 0.80 TTR (0.56) CA1CA2ACHEKMT2AALOX5
SCHEMBL490409 0.79 ALOX5 (0.47) MEN1KMT2AALOX5TTRPOLB

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 CA1 2392/4885CA2 1558/4885ACHE 558/4885
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 CA1 2587/4885CA2 2547/4885ACHE 4762/4885

“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.