SCHEMBL491098

SCHEMBL491098

CCOC(=O)CCc1ccc(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
APLNR P35414 1/20 0.47
CNR1 P21554 3/20 0.47
CNR2 P34972 1/20 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
SCHEMBL490458 0.88 HSD17B10 (0.55) ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL22867617 0.87 CYP4F2 (0.51) POLBALDH1A1CYP4F2CYP4A11NPC1
SCHEMBL585472 0.86 APLNR (0.56) POLBALDH1A1NPC1PKMRAB9A
SCHEMBL432804 0.85 CYP4F2 (0.50) POLBALDH1A1TDP1TSHRCYP4F2
SCHEMBL434775 0.85 POLB (0.52) POLBALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL1549816 0.85 CYP4F2 (0.50) ALDH1A1CYP4F2CYP4A11
SCHEMBL6035972 0.85 POLB (0.68) POLBTSHRCYP4F2CYP4A11NPC1
SCHEMBL21455751 0.85 ALDH1A1 (0.53) POLBALDH1A1TDP1TSHRMAPK1
SCHEMBL30482840 0.85 ALDH1A1 (0.53) POLBALDH1A1TDP1TSHRMAPK1
SCHEMBL17722574 0.84 CYP4F2 (0.54) ALDH1A1CYP4F2CYP4A11

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 17 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
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN 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
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
EP-1482935-B1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER LAMBERT CO (US) 2008-08-20 EP 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
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
EP-1482935-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY Warner-Lambert Company LLC (US) 2004-12-08 EP disclosed
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074050-A1 THIAZOLE AND OXAZOLE DERIVATIVES WHICH MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2003-09-12 WO disclosed
US-5124478-A ACID-LABILE ANCHOR GROUPS FOR THE SYNTHESIS OF PEPTIDE AMIDES BY A SOLID-PHASE METHOD HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-23 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 POLB 259/4885ALDH1A1 181/4885TDP1 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 POLB 236/4885ALDH1A1 314/4885TDP1 2793/4885
US-20030207924-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG POLB 3400/4885ALDH1A1 886/4885TDP1 3874/4885

“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.