SCHEMBL490894

SCHEMBL490894

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
PTPN1 P18031 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TTR P02766 3/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 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
SCHEMBL490973 0.85 ALOX5 (0.47) ALOX5PTPN1MEN1KMT2ATTR
SCHEMBL491127 0.85 MEN1 (0.52) ALOX5MEN1KMT2ATTRAKR1B10
SCHEMBL490409 0.84 ALOX5 (0.47) ALOX5MEN1KMT2ATTRNPC1
SCHEMBL490817 0.82 CA1 (0.54) ALOX5MEN1KMT2ATTRRAB9A
SCHEMBL490982 0.82 ALOX5 (0.48) ALOX5KMT2ATTRAKR1B10AKR1B1
SCHEMBL491068 0.81 PTPN1 (0.51) ALOX5PTPN1MEN1KMT2ATTR
SCHEMBL490424 0.80 ALOX5 (0.52) ALOX5MEN1KMT2ATTRAKR1B10
SCHEMBL490533 0.80 NPC1 (0.52) MEN1KMT2ANPC1RAB9A
SCHEMBL491167 0.79 ALOX5 (0.51) ALOX5KMT2ATTRAKR1B10AKR1B1
SCHEMBL491003 0.79 ALOX5 (0.64) ALOX5TTRAKR1B10AKR1B1

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 180/4885PTPN1 4547/4885MEN1 3467/4885
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 905/4885PTPN1 4607/4885MEN1 2420/4885

“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.