SCHEMBL2213748

SCHEMBL2213748

COc1cc(C(CC(C)C)=C(C(C)=O)C(=O)O)cc(OC)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2211621 0.86 KDM4E (0.52) PKMCA12CA1CA2CA3
SCHEMBL2215802 0.85 HTT (0.52) KDM4EGAAALDH1A1KMT2ATDP1
SCHEMBL2213839 0.84 PKM (0.53) PKMCA12CA1CA2CA3
SCHEMBL5751345 0.80 PKM (0.40) PKMCA12CA1CA2CA3
SCHEMBL2268669 0.79 KDM4E (0.44) PKMCA12CA1CA2CA3
SCHEMBL2271180 0.78 PKM (0.53) PKMCA12CA1CA2CA3
SCHEMBL5796263 0.69 HTT (0.56) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL28053491 0.69 CA12 (0.49) PKMCA12CA1CA2CA3
SCHEMBL2211645 0.69 HTT (0.56) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5796261 0.69 HTT (0.56) KDM4EGAAALDH1A1KMT2AMAPT

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 16 patents. 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 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 3156/4885CA12 3474/4885CA1 4513/4885
US-20030108492-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 PKM 730/4885CA12 3087/4885CA1 4075/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR PKM 3841/4885CA12 4608/4885CA1 4800/4885

“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.