SCHEMBL491167

SCHEMBL491167

COc1cc(C(C)C(=O)OCCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.51
KMT2A Q03164 2/20 0.50
G6PD P11413 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TTR P02766 3/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL491003 0.90 ALOX5 (0.64) ALOX5TTRAKR1B10AKR1B1L3MBTL1
SCHEMBL490870 0.87 TTR (0.56) ALOX5KMT2ALMNAALDH1A1TTR
SCHEMBL490944 0.85 TTR (0.58) ALOX5TTRAKR1B10AKR1B1
SCHEMBL490409 0.84 ALOX5 (0.47) ALOX5KMT2AALDH1A1TTRTDP1
SCHEMBL25826919 0.83 ALOX5 (0.53) ALOX5KMT2AG6PDLMNAALDH1A1
SCHEMBL490973 0.83 ALOX5 (0.47) ALOX5KMT2AG6PDLMNAALDH1A1
SCHEMBL490737 0.82 TTR (0.58) ALOX5TTRAKR1B10AKR1B1L3MBTL1
SCHEMBL490982 0.82 ALOX5 (0.48) ALOX5KMT2ALMNAALDH1A1HPGD
SCHEMBL490146 0.82 ALOX5 (0.54) ALOX5KMT2AG6PDLMNAALDH1A1
SCHEMBL8066953 0.81 HCAR2 (0.50) LMNAALDH1A1HPGDAKR1B10AKR1B1

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 180/4885KMT2A 4023/4885G6PD 185/4885
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 905/4885KMT2A 1522/4885G6PD 906/4885

“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.