SCHEMBL4456658

SCHEMBL4456658

CCCCCCC(=C(OC)C(=O)OCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
PTGS2 P35354 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL32074 0.86 CES2 (0.54) CES2CES1PTGS2NAAA
SCHEMBL7096425 0.86 CES2 (0.54) CES2CES1PTGS2NAAA
SCHEMBL3084634 0.86 CES2 (0.54) CES2CES1PTGS2NAAA
SCHEMBL27952628 0.85 CES2 (0.53) CES2CES1PTGS2ALDH1A1MAPT
SCHEMBL8092296 0.84 CES2 (0.53) CES2CES1PTGS2NAAA
SCHEMBL27408372 0.83 CES2 (0.51) CES2CES1PTGS2NAAAALDH1A1
SCHEMBL27941243 0.83 CES2 (0.51) CES2CES1PTGS2ALDH1A1MAPT
Stearic Acid SCHEMBL8430839 0.82 CES2 (0.50) CES2CES1PTGS2ALDH1A1
SCHEMBL541541 0.81 LMNA (0.49) CES2CES1SMN1; SMN2NAAAALDH1A1
SCHEMBL27952633 0.80 CES2 (0.54) CES2CES1PTGS2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9060945-B2 Use of danielone and derivatives thereof in skin care DSM IP ASSETS B.V. (NL) 2015-06-23 US disclosed
US-20150004108-A1 USE OF DANIELONE AND DERIVATIVES THEREOF IN SKIN CARE DSM IP ASSETS B.V. (NL) 2015-01-01 US disclosed
WO-2013104526-A1 USE OF DANIELONE AND DERIVATIVES THEREOF IN SKIN CARE DSM IP ASSETS B.V. (NL) 2013-07-18 WO disclosed
EP-2522330-A1 Use of resveratrol and an edelweiss extract DSM IP Assets B.V. (NL) 2012-11-14 EP disclosed
EP-2522332-A1 Use of resveratrol and magnesium-ascorbyl-phosphate DSM IP Assets B.V. (NL) 2012-11-14 EP disclosed
EP-2522328-A1 Use of resveratrol and ascorbyl-2-glucoside DSM IP Assets B.V. (NL) 2012-11-14 EP disclosed
EP-2522329-A1 Use of resveratrol and arbutin DSM IP Assets B.V. (NL) 2012-11-14 EP disclosed
EP-2522335-A1 Use of resveratrol and sodium-ascorbyl-phophate DSM IP Assets B.V. (NL) 2012-11-14 EP disclosed
EP-2522331-A1 Use of resveratrol and niacinamide DSM IP Assets B.V. (NL) 2012-11-14 EP disclosed
US-20090041687-A1 Use of opioid receptor antagonists DSM IP ASSETS B.V. (NL) 2009-02-12 US disclosed
EP-1926490-A2 USE OF OPIOID RECEPTOR ANTAGONISTS DSMIP Assets B.V. (NL) 2008-06-04 EP disclosed
WO-2007051596-A1 NOVEL RETINYL BIOTINATES AND USE THEREOF DSM IP ASSETS B.V. (NL) 2007-05-10 WO disclosed
WO-2007039058-A2 USE OF OPIOID RECEPTOR ANTAGONISTS DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed
WO-2004062635-A1 COMPOSITIONS FOR SKIN LIGHTENING COMPRISING BIS-PANTOYL-CYSTAMINE DSM IP ASSETS B.V. (NL) 2004-07-29 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-20150004108-A1 USE OF DANIELONE AND DERIVATIVES THEREOF IN SKIN CARE TYR, MITF, MC1R CES2 2961/4885CES1 1541/4885PTGS2 2942/4885

“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.