SCHEMBL2213740

SCHEMBL2213740

COc1cc(C=C(C(C)=O)C(=O)OCC(C)C)cc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
GAA P10253 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALOX5 P09917 3/20 0.41
MET P08581 3/20 0.41
PTP4A3 O75365 2/20 0.40
PTP4A2 Q12974 2/20 0.40
PTP4A1 Q93096 2/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL2211610 0.87 KDM4E (0.56) MAPTGAATDP1KMT2APKM
SCHEMBL2215798 0.86 MAPT (0.69) MAPTGAATDP1KMT2APKM
SCHEMBL12211765 0.85 MAPT (0.51) MAPTGAATDP1KMT2APKM
SCHEMBL2213830 0.85 MAPT (0.51) MAPTGAATDP1KMT2APKM
SCHEMBL10673449 0.85 MAPT (0.51) MAPTGAATDP1KMT2APKM
SCHEMBL5011134 0.83 ALOX5 (0.58) MAPTGAATDP1KMT2APKM
SCHEMBL23530158 0.82 PTP4A3 (0.54) MAPTGAATDP1KMT2APKM
SCHEMBL2269598 0.82 PTP4A3 (0.54) MAPTGAATDP1KMT2APKM
SCHEMBL2267509 0.81 TDP1 (0.45) MAPTGAATDP1ALDH1A1CYP1A2
SCHEMBL23530142 0.81 TDP1 (0.45) MAPTGAATDP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635777-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
US-8003082-B2 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
EP-1952843-B1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
EP-1747773-B1 Photostable organic sunscreen compositions with antioxidant properties MERCK PATENT GMBH (DE) 2010-08-04 EP disclosed
EP-1952843-A1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom Merck Patent GmbH (DE) 2008-08-06 EP disclosed
US-20070059258-A1 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2007-03-15 US disclosed
EP-1747773-A2 Photostable organic sunscreen compositions with antioxidant properties Merck Patent GmbH (DE) 2007-01-31 EP disclosed
US-7166273-B2 Photo stable organic sunscreen compositions EMD CHEMICALS, INC. (US) 2007-01-23 US disclosed
EP-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP disclosed
EP-1635777-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GmbH (DE) 2006-03-22 EP disclosed
WO-2004105712-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2004-12-09 WO disclosed
US-20040247536-A1 Photo stable organic sunscreen compositions EMD CHEMICALS, INC. 2004-12-09 US disclosed
EP-1406582-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GmbH (DE) 2004-04-14 EP disclosed
US-6602515-B2 Alpha-acetyl-3,5-dimethoxy-4-hydroxy cinnamate ester; dipalmitoyl-3,5- dimethoxy-4-hydroxy benzylidene malonate or amide derivatives EM INDUSTRIES 2003-08-05 US disclosed
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM EM INDUSTRIES 2003-06-12 US disclosed
WO-2003007906-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2003-01-30 WO 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-20070059258-A1 Photostable organic sunscreen composition SUN2, ERCC1, PPOX MAPT 105/4885GAA 886/4885TDP1 1702/4885
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 MAPT 1118/4885GAA 1575/4885TDP1 1242/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR MAPT 272/4885GAA 304/4885TDP1 2418/4885

“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.