SCHEMBL490409

SCHEMBL490409

COc1cc(OC)cc(C(C)C(=O)OCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TACR1 P25103 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TTR P02766 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL490533 0.87 NPC1 (0.52) GAAKMT2ANPC1RAB9AMEN1
SCHEMBL491167 0.84 ALOX5 (0.51) ALOX5L3MBTL1KMT2AALDH1A1TTR
SCHEMBL491003 0.84 ALOX5 (0.64) ALOX5L3MBTL1TTR
SCHEMBL490894 0.84 ALOX5 (0.51) ALOX5KMT2ANPC1RAB9AMEN1
SCHEMBL19094376 0.84 HCAR2 (0.50) L3MBTL1NPC1RAB9AALDH1A1CYP3A4
SCHEMBL8066953 0.84 HCAR2 (0.50) L3MBTL1NPC1RAB9AALDH1A1CYP3A4
SCHEMBL490555 0.83 ESR1 (0.50) ALOX5L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL490698 0.82 L3MBTL1 (0.61) ALOX5L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL490870 0.81 TTR (0.56) ALOX5L3MBTL1KMT2ANPC1RAB9A
SCHEMBL490381 0.81 ALOX5 (0.48) ALOX5GAAL3MBTL1KMT2ANPC1

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 ALOX5 180/4885GAA 940/4885L3MBTL1 4336/4885
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 ALOX5 905/4885GAA 309/4885L3MBTL1 3978/4885

“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.