SCHEMBL2214744

SCHEMBL2214744

COc1cc(C2(CCC(C)C)OC(=O)CC(=O)O2)c(CCC(C)C)c(OC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMPD1 P17405 1/20 0.39
PDE4D Q08499 2/20 0.39
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
AKT1 P31749 2/20 0.32
TCF4 P15884 2/20 0.31
CTNNB1 P35222 2/20 0.31
CDH1 P12830 1/20 0.31
APC P25054 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
HDAC3 O15379 4/20 0.31
HDAC4 P56524 4/20 0.31
HDAC1 Q13547 4/20 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
SCHEMBL2270174 0.87 SMPD1 (0.37) ALOX5NFKB1NFKB2RELASMPD1
SCHEMBL6427404 0.84 ALOX5 (0.41) ALOX5NFKB1NFKB2RELASMPD1
SCHEMBL28508824 0.84 ALOX5 (0.36) ALOX5GAAKDM4EKMT2A
SCHEMBL2214661 0.83 SMPD1 (0.40) ALOX5NFKB1NFKB2RELASMPD1
SCHEMBL28499468 0.82 ALOX5 (0.42) ALOX5GAAKDM4E
SCHEMBL28500686 0.81 ALOX5 (0.46) ALOX5
SCHEMBL2215829 0.80 ALOX5 (0.48) ALOX5
SCHEMBL28506293 0.80 ALOX5 (0.48) ALOX5
SCHEMBL28503969 0.80 ALOX5 (0.48) ALOX5
SCHEMBL28500590 0.80 ALOX5 (0.48) ALOX5

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 105 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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO claimed
US-20080131381-A1 METHODS FOR PHOTOSTABILIZING INGREDIENTS WITHIN COSMETICS, PERSONAL CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GESELLSCHAFT (DE) 2008-06-05 US 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
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-20050244349-A1 Methods for stabilizing ingredients within cosmetics, personal care and household products SUSONITY Commercial GmbH (DE) 2005-11-03 US claimed
EP-1591099-A2 Methods for stabilizing ingredients within cosmetics, personal care and household products MERCK PATENT GmbH (DE) 2005-11-02 EP 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-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 claimed
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM EM INDUSTRIES 2003-06-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050244349-A1 Methods for stabilizing ingredients within cosmetics, personal care and household products CUTA, TYR, LAGE3 ALOX5 391/4885NFKB1 1942/4885NFKB2 2717/4885
US-20070059258-A1 Photostable organic sunscreen composition SUN2, ERCC1, PPOX ALOX5 677/4885NFKB1 1635/4885NFKB2 1421/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 ALOX5 1030/4885NFKB1 361/4885NFKB2 356/4885
US-20080131381-A1 METHODS FOR PHOTOSTABILIZING INGREDIENTS WITHIN COSMETICS, PERSONAL CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS OBTAINED THEREFROM TYR, NISCH, PPOX ALOX5 171/4885NFKB1 1920/4885NFKB2 2223/4885
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 ALOX5 782/4885NFKB1 773/4885NFKB2 778/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR ALOX5 1093/4885NFKB1 985/4885NFKB2 571/4885

“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.