SCHEMBL490870

SCHEMBL490870

COc1ccc(C(C)C(=O)OCCc2ccccc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.56
ALOX5 P09917 4/20 0.54
HIF1A Q16665 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ACHE P22303 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
SCHEMBL490737 0.90 TTR (0.58) TTRALOX5HIF1ARAB9AMAPT
SCHEMBL490944 0.90 TTR (0.58) TTRALOX5NPSR1AKR1B10AKR1B1
SCHEMBL491003 0.90 ALOX5 (0.64) TTRALOX5L3MBTL1AKR1B10AKR1B1
SCHEMBL491167 0.87 ALOX5 (0.51) TTRALOX5KMT2ALMNAL3MBTL1
SCHEMBL8730539 0.83 SIGMAR1 (0.53) ALOX5HIF1A
SCHEMBL490424 0.83 ALOX5 (0.52) TTRALOX5NPC1RAB9AKMT2A
SCHEMBL490533 0.82 NPC1 (0.52) CA1CA2ACHENPC1RAB9A
SCHEMBL8066953 0.81 HCAR2 (0.50) HIF1ANPC1RAB9ALMNAL3MBTL1
SCHEMBL19094376 0.81 HCAR2 (0.50) HIF1ANPC1RAB9ALMNAL3MBTL1
SCHEMBL490409 0.81 ALOX5 (0.47) TTRALOX5NPC1RAB9AKMT2A

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 TTR 423/4885ALOX5 180/4885HIF1A 478/4885
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 TTR 3973/4885ALOX5 905/4885HIF1A 412/4885

“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.