SCHEMBL2215798

SCHEMBL2215798

COc1cc(C=C(C(C)=O)C(=O)OCC(C)C)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
TDP1 Q9NUW8 3/20 0.53
GAA P10253 2/20 0.53
GLO1 Q04760 4/20 0.53
ABL1 P00519 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
IKBKG Q9Y6K9 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
APP P05067 2/20 0.48
SNCA P37840 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
MAOB P27338 2/20 0.47

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
SCHEMBL2216850 0.88 MAPT (0.66) MAPTTDP1GAAGLO1ABL1
SCHEMBL2213740 0.86 MAPT (0.48) MAPTTDP1GAAALDH1A1KMT2A
SCHEMBL2211638 0.86 MAPT (0.74) MAPTTDP1GAAGLO1ABL1
SCHEMBL2255275 0.86 MAPT (0.74) MAPTTDP1GAAGLO1ABL1
SCHEMBL4573142 0.84 MAPT (0.71) MAPTTDP1GAAGLO1ABL1
SCHEMBL2208983 0.84 MAPT (0.74) MAPTTDP1GAAGLO1ABL1
SCHEMBL7523992 0.83 MAPT (1.00) MAPTTDP1GAAGLO1ABL1
SCHEMBL2268635 0.82 MAPT (0.58) MAPTTDP1GAAGLO1ABL1
SCHEMBL934472 0.81 MAPT (0.59) MAPTTDP1GAAGLO1ABL1
SCHEMBL4739625 0.81 MAPT (0.66) MAPTTDP1GAAGLO1ABL1

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 14 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-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-1635777-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GmbH (DE) 2006-03-22 EP disclosed
US-6831191-B2 Blocking ultraviolet radiation on skin EM INDUSTRIES 2004-12-14 US 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-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM EM INDUSTRIES 2003-08-21 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 105/4885TDP1 1702/4885GAA 886/4885
US-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 MAPT 1564/4885TDP1 1533/4885GAA 1902/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR MAPT 272/4885TDP1 2418/4885GAA 304/4885

“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.