SCHEMBL490533

SCHEMBL490533

COc1ccc(C(C)C(=O)OCCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 3/20 0.51
CNR2 P34972 1/20 0.51
TSHR P16473 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 1/20 0.50
GPR88 Q9GZN0 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL19094376 0.88 HCAR2 (0.50) NPC1RAB9AALDH1A1TSHR
SCHEMBL8066953 0.88 HCAR2 (0.50) NPC1RAB9AALDH1A1TSHR
SCHEMBL490409 0.87 ALOX5 (0.47) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL490739 0.83 NPC1 (0.50) NPC1RAB9AALDH1A1CNR2TSHR
SCHEMBL490870 0.82 TTR (0.56) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL27640951 0.82 FFAR1 (0.55) NPC1RAB9AGPR88KMT2AMEN1
SCHEMBL491127 0.80 MEN1 (0.52) NPC1CA1CA2ACHEKMT2A
SCHEMBL490737 0.80 TTR (0.58) RAB9ATSHRMAPTGAA
SCHEMBL490944 0.80 TTR (0.58) TSHRGAA
SCHEMBL490817 0.80 CA1 (0.54) RAB9AALDH1A1CA1CA2ACHE

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 NPC1 1223/4885RAB9A 2846/4885ALDH1A1 181/4885
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 NPC1 2409/4885RAB9A 1710/4885ALDH1A1 314/4885

“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.