SCHEMBL490871

SCHEMBL490871

COc1ccc(CCC(=O)OCCc2ccccc2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.76
APP P05067 2/20 0.65
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 2/20 0.60
TTR P02766 1/20 0.57
CHRM5 P08912 2/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
PPARG P37231 2/20 0.55
PPARA Q07869 2/20 0.55
REN P00797 1/20 0.54
CTSD P07339 1/20 0.54
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL490738 0.90 APP (0.74) ALOX5APPTDP1KMT2ATTR
SCHEMBL490945 0.90 ALOX5 (0.77) ALOX5APPTDP1TTRALDH1A1
SCHEMBL491005 0.86 ALOX5 (1.00) ALOX5APPTDP1TTR
SCHEMBL491168 0.86 ALOX5 (0.81) ALOX5APPTDP1KMT2AALDH1A1
SCHEMBL22345345 0.86 ALOX5 (0.56) ALOX5APPKMT2ACHRM5CHRM1
SCHEMBL28040086 0.85 ALOX5 (0.56) ALOX5APPCHRM5CHRM1CHRM3
SCHEMBL29641938 0.85 ALOX5 (0.54) ALOX5APPKMT2ACHRM5CHRM1
Phenyl Propionic Acid SCHEMBL28541899 0.84 KMT2A (0.63) ALOX5KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL490426 0.84 ALOX5 (0.68) ALOX5APPTDP1KMT2ATTR
SCHEMBL490534 0.83 TDP1 (0.70) ALOX5APPTDP1CHRM5CHRM1

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 180/4885APP 1760/4885TDP1 1049/4885
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 905/4885APP 1846/4885TDP1 2793/4885

“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.