SCHEMBL2211645

SCHEMBL2211645

CCC(=C(C(C)=O)C(=O)O)c1ccc(O)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B2 P37059 1/20 0.54
CYP1A2 P05177 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 3/20 0.50
HDAC6 Q9UBN7 1/20 0.48
DUSP3 P51452 3/20 0.46
PTPN7 P35236 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 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
SCHEMBL5796261 0.89 HTT (0.56) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL5796263 0.89 HTT (0.56) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL2215802 0.85 HTT (0.52) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL2213839 0.84 PKM (0.53) HTTMEN1KMT2AHSD17B2CYP1A2
SCHEMBL17273165 0.82 GAA (0.65) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL17273162 0.82 GAA (0.65) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL25238824 0.78 HTT (0.54) HTTSLC22A6SLC22A8MEN1RAB9A
SCHEMBL7418689 0.78 PDE4B (0.57)
Acetic Acid SCHEMBL5315551 0.78 HTT (0.65) HTTSLC22A6SLC22A8MEN1RAB9A
Acetic Acid SCHEMBL8861315 0.78 HTT (0.65) HTTSLC22A6SLC22A8MEN1RAB9A

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 408/4885SLC22A6 1900/4885SLC22A8 961/4885
US-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 HTT 3454/4885SLC22A6 1477/4885SLC22A8 445/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR HTT 421/4885SLC22A6 1691/4885SLC22A8 1168/4885

“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.