SCHEMBL2268513

SCHEMBL2268513

CCCCCC(CC)(CC)C1C(=O)OC(c2ccc(O)c(OC)c2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C1 P04150 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1A P08908 1/20 0.38
ALOX5 P09917 1/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL361262 0.88 SIRT1 (0.37) GAAMEN1KMT2ACYP3A4ALOX5
SCHEMBL3796380 0.76 GRM2 (0.36) GAAMEN1KMT2A
SCHEMBL4160114 0.75 TSHR (0.38) GAAMEN1KMT2ACYP3A4ALOX5
SCHEMBL3690586 0.66 PPARG (0.50) GAANR3C1CA2CYP3A4HTR1A
SCHEMBL3689605 0.65 PPARG (0.49) NR3C1CA2CYP3A4HTR1AALOX5
SCHEMBL3690426 0.65 PPARG (0.49) NR3C1CA2CYP3A4HTR1AALOX5
SCHEMBL3688226 0.65 PPARG (0.49) NR3C1CA2CYP3A4HTR1AALOX5
SCHEMBL3687163 0.65 PPARG (0.49) NR3C1CA2CYP3A4HTR1AALOX5
SCHEMBL10573982 0.65 NR3C1 (0.60) GAAMEN1KMT2AL3MBTL1NR3C1
SCHEMBL29368616 0.65 NR3C1 (0.60) GAAMEN1KMT2AL3MBTL1NR3C1

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 5 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
US-20070059258-A1 Photostable organic sunscreen composition MERCK PATENT GMBH (DE) 2007-03-15 US 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

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

For each of this compound's patents that has machine-readable text (1 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 GAA 886/4885MEN1 2530/4885KMT2A 3272/4885

“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.