SCHEMBL2270174

SCHEMBL2270174

COc1c(O)c(C(C)(C)C)cc(C2(CCC(C)C)OC(=O)CC(=O)O2)c1CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.37
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL2214744 0.87 ALOX5 (0.39) SMPD1PDE4DKMT2AALOX5NFKB1
SCHEMBL2214661 0.80 SMPD1 (0.40) SMPD1PDE4DALOX5NFKB1NFKB2
SCHEMBL6427404 0.71 ALOX5 (0.41) SMPD1PDE4DMEN1KMT2AALOX5
SCHEMBL11303273 0.66 KDM4E (0.32) MEN1KMT2APTGS1PTGS2
SCHEMBL2209075 0.64 KDM4E (0.38) MEN1KMT2AALOX5
SCHEMBL26567572 0.61 DHFR (0.41) PDE4DALOX5NFKB1NFKB2RELA
SCHEMBL1087162 0.61 ALDH1A1 (0.52) MEN1KMT2ANFKB1
SCHEMBL2268341 0.60 TRPV1 (0.42) ALOX5
SCHEMBL2266097 0.57 SIRT2 (0.34) ALOX5
SCHEMBL5477925 0.56 ALOX5 (0.32) ALOX5PTGS1PTGS2

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 29 patents — showing the first 20. 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 claimed
US-8003082-B2 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2011-08-23 US claimed
EP-1747773-B1 Photostable organic sunscreen compositions with antioxidant properties MERCK PATENT GMBH (DE) 2010-08-04 EP claimed
US-20070059258-A1 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2007-03-15 US claimed
EP-1747773-A2 Photostable organic sunscreen compositions with antioxidant properties Merck Patent GmbH (DE) 2007-01-31 EP claimed
US-7166273-B2 Photo stable organic sunscreen compositions EMD CHEMICALS, INC. (US) 2007-01-23 US claimed
EP-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP claimed
EP-1635777-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GmbH (DE) 2006-03-22 EP claimed
US-6831191-B2 Blocking ultraviolet radiation on skin EM INDUSTRIES 2004-12-14 US claimed
WO-2004105712-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GMBH (DE) 2004-12-09 WO claimed
US-20040247536-A1 Photo stable organic sunscreen compositions EMD CHEMICALS, INC. 2004-12-09 US claimed
EP-1406582-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GmbH (DE) 2004-04-14 EP claimed
US-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM EM INDUSTRIES 2003-08-21 US claimed
WO-2003007906-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2003-01-30 WO 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-1747773-B1 Photostable organic sunscreen compositions with antioxidant properties MERCK PATENT GMBH (DE) 2010-08-04 EP 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 SMPD1 3979/4885PDE4D 4456/4885MEN1 2530/4885
US-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 SMPD1 4348/4885PDE4D 4864/4885MEN1 2541/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR SMPD1 4638/4885PDE4D 4737/4885MEN1 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.