SCHEMBL490354

SCHEMBL490354

CCCCC(CC)COC(=O)/C=C/c1ccc(O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.71
MAOB P27338 2/20 0.65
MET P08581 8/20 0.57
EPHX2 P34913 1/20 0.57
CA12 O43570 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
CA5A P35218 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
HTR1A P08908 1/20 0.54
TTR P02766 1/20 0.54
HTR7 P34969 1/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 2/20 0.54

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
SCHEMBL490355 1.00 TDP1 (0.71) TDP1MAOBMETEPHX2CA12
SCHEMBL18078297 0.91 TDP1 (0.71) TDP1MAOBEPHX2TTRMAPT
SCHEMBL18078300 0.91 TDP1 (0.73) TDP1MAOBTTRTSHRHSD17B10
SCHEMBL491035 0.89 TDP1 (0.69) TDP1TTRTSHRAPPAKR1B1
SCHEMBL491036 0.89 TDP1 (0.69) TDP1TTRTSHRAPPAKR1B1
SCHEMBL490461 0.88 TDP1 (0.68) TDP1METCYP2D6CYP2C9TSHR
SCHEMBL490462 0.88 TDP1 (0.68) TDP1METCYP2D6CYP2C9TSHR
SCHEMBL18073730 0.87 TDP1 (0.68) TDP1MAOBMETCA12CA4
SCHEMBL8383369 0.83 TDP1 (0.83) TDP1MAOBTSHRALDH1A1CA2
Octinoxate SCHEMBL39360 0.83 TDP1 (1.00) TDP1TSHRMEN1ALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-106998684-B Compositions comprising ferulic acid ethyl ester and aryl alkanol 奇科迈尔有限公司 2022-02-25 CN disclosed
EP-3533330-A1 COMPOSITION COMPRISING FERULIC ACID ETHYL ESTER AND ARYL ALKANOL Schülke & Mayr GmbH (DE) 2019-09-04 EP disclosed
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 TDP1 1049/4885MAOB 177/4885MET 4835/4885
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 TDP1 2793/4885MAOB 415/4885MET 2552/4885

“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.