SCHEMBL2211640

SCHEMBL2211640

CCc1c(C(=CC(=O)O)C(C)=O)ccc(O)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 2/20 0.33
MCL1 Q07820 1/20 0.32
SMPD1 P17405 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
PKM P14618 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
SNCA P37840 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
SCHEMBL3245100 0.79 TDP1 (0.49) MAPTTDP1PPARGMCL1ALDH1A1
SCHEMBL2213832 0.79 PKM (0.38) MAPTTDP1MCL1SMPD1ALDH1A1
SCHEMBL1940681 0.75 HMGCR (0.47) MAPTTDP1ALDH1A1CA1KDM4E
SCHEMBL29084361 0.75 ALDH1A1 (0.40) MAPTTDP1ALDH1A1CYP3A4HPGD
Hydrochloric Acid SCHEMBL7999971 0.74 NNMT (0.38) MAPTTDP1MCL1ALDH1A1CA1
SCHEMBL29157723 0.73 CA12 (0.51) MAPTALDH1A1CA1CA2CYP3A4
SCHEMBL2214596 0.72 MAPT (0.36) MAPTTDP1ALDH1A1CA1CA12
SCHEMBL1405663 0.70 KDM4E (0.46) MAPTTDP1ALDH1A1CA1CA2
SCHEMBL4216080 0.70 TDP1 (0.49) MAPTTDP1PPARGMCL1ALDH1A1
SCHEMBL28376130 0.70 CA1 (0.39) MAPTTDP1PPARGALDH1A1CA1

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 MAPT 105/4885TDP1 1702/4885PPARG 825/4885
US-20030157035-A1 PHOTO STABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM ERCC1, ERCC4, OGG1 MAPT 1564/4885TDP1 1533/4885PPARG 3754/4885
US-20040247536-A1 Photo stable organic sunscreen compositions SUN2, CCNB1, TYR MAPT 272/4885TDP1 2418/4885PPARG 1470/4885

“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.