SCHEMBL2213832

SCHEMBL2213832

CCc1c(C(=CC(=O)O)C(C)=O)cc(OC)c(O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HMGCR P04035 1/20 0.35

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
SCHEMBL2213744 0.86 PKM (0.35) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL2211615 0.84 ALOX5 (0.41) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL5748233 0.81 ALOX5 (0.34) CA2LMNATDP1CYP3A4ALDH1A1
SCHEMBL5750215 0.81 RARG (0.40) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL9363323 0.79 MAPT (0.40) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL2211640 0.79 MAPT (0.34) PKMKDM4ECA12CA1CA2
SCHEMBL1260575 0.76 HMGCR (0.41) PKMPTGS2KDM4EGAACA12
SCHEMBL3360767 0.76 HMGCR (0.40) PKMPTGS2PTGS1CA12CA1
SCHEMBL2394283 0.72 PKM (0.54) PKMPTGS2PTGS1KDM4EGAA
SCHEMBL2268666 0.72 RXRA (0.40) PKMKDM4EGAAALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1747773-B1 Photostable organic sunscreen compositions with antioxidant properties MERCK PATENT GMBH (DE) 2010-08-04 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-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP disclosed
EP-1635777-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOSITION MERCK PATENT GmbH (DE) 2006-03-22 EP 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-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 disclosed
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM EM INDUSTRIES 2003-06-12 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 PKM 3156/4885PTGS2 788/4885PTGS1 1285/4885
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 PKM 730/4885PTGS2 1659/4885PTGS1 1319/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR PKM 3841/4885PTGS2 2617/4885PTGS1 3341/4885

“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.