SCHEMBL490605

SCHEMBL490605

O=C(CCc1cc(O)ccc1O)OCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.67
TDP1 Q9NUW8 2/20 0.59
EGFR P00533 4/20 0.56
ALOX5 P09917 4/20 0.55
ESR1 P03372 2/20 0.51
ESR2 Q92731 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
AKR1B10 O60218 3/20 0.47
AKR1B1 P15121 3/20 0.47
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 3/20 0.46
ALOX12 P18054 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 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
SCHEMBL490425 0.89 APP (0.63) APPTDP1ALOX5ESR1ESR2
SCHEMBL490961 0.86 APP (0.70) APPTDP1EGFRALOX5ESR1
SCHEMBL28470050 0.85 TDP1 (0.67) APPTDP1ALOX5ESR1ESR2
SCHEMBL491012 0.82 APP (0.64) APPTDP1EGFRALOX5ESR1
SCHEMBL22577482 0.81 TDP1 (0.56) APPTDP1EGFRALOX5AKR1B10
SCHEMBL490480 0.80 APP (1.00) APPTDP1EGFRALOX5ESR1
SCHEMBL9367557 0.80 TDP1 (0.92) APPTDP1ALOX5ESR1ESR2
SCHEMBL490557 0.80 TDP1 (0.72) APPTDP1ALOX5ESR1ESR2
SCHEMBL490396 0.80 EGFR (0.55) APPTDP1EGFRALOX5ESR1
SCHEMBL490805 0.79 TDP1 (0.61) APPTDP1ALOX5ESR1ESR2

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 4 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

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 APP 1760/4885TDP1 1049/4885EGFR 4841/4885
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 APP 1846/4885TDP1 2793/4885EGFR 2455/4885

“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.