SCHEMBL2208985

SCHEMBL2208985

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B2 P37059 1/20 0.47
BLM P54132 2/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL2271180 0.84 PKM (0.53) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL2215802 0.80 HTT (0.52) HTTKMT2AMEN1SLC22A6SLC22A8
Apocynin SCHEMBL27893253 0.78 HTT (0.65) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL5796263 0.78 HTT (0.56) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL2211645 0.78 HTT (0.56) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL5796261 0.78 HTT (0.56) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL8843383 0.77 HTT (0.52) HTTKMT2AMEN1SLC22A6SLC22A8
Apocynin SCHEMBL28537029 0.76 HTT (0.71) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL6835992 0.76 MEN1 (0.68) HTTKMT2AMEN1SLC22A6SLC22A8
SCHEMBL5597481 0.74 HTT (0.59) HTTKMT2AMEN1SLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1952843-B1 Photostable organic sunscreen compounds with antioxidant properties and compositions obtained therefrom MERCK PATENT GMBH (DE) 2011-07-27 EP claimed
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 HTT 408/4885KMT2A 3272/4885MEN1 2530/4885
US-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 HTT 3454/4885KMT2A 3733/4885MEN1 2541/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR HTT 421/4885KMT2A 3170/4885MEN1 3106/4885

“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.