SCHEMBL490537

SCHEMBL490537

CCCCC(CC)COC(=O)C(C)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 5/20 0.55
CA2 P00918 1/20 0.55
LMNA P02545 5/20 0.53
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ATM Q13315 1/20 0.50
MAPK1 P28482 4/20 0.49
HSD17B10 Q99714 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
RECQL P46063 1/20 0.46
ESR1 P03372 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL19024892 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490512 0.86 TDP1 (0.61) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490662 0.86 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490524 0.85 LMNA (0.53) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490756 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490645 0.82 LMNA (0.50) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490531 0.82 LMNA (0.52) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490760 0.82 LMNA (0.52) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490482 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL490879 0.82 LMNA (0.52) ALDH1A1CYP3A4CA2LMNATSHR

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 11 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 claimed
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
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US claimed
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed
CN-101437579-B Antioxidant agent MERCK PATENT GMBH 2012-11-21 CN 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
CN-101437579-A Antioxidant agent MERCK PATENT GMBH (DE) 2009-05-20 CN 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 (3 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 ALDH1A1 181/4885CYP3A4 392/4885CA2 1558/4885
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 ALDH1A1 314/4885CYP3A4 63/4885CA2 2547/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 ALDH1A1 1313/4885CYP3A4 2870/4885CA2 3386/4885

“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.