SCHEMBL1044590

SCHEMBL1044590

CCCCCCCCCCCC(=O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.51
CYP1A1 P04798 4/20 0.51
TTR P02766 3/20 0.51
ALOX5 P09917 3/20 0.51
CYP1B1 Q16678 3/20 0.51
ALB P02768 1/20 0.48
CISD1 Q9NZ45 2/20 0.48
TOP2A P11388 2/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
GAA P10253 2/20 0.46
BCR P11274 2/20 0.46
NQO2 P16083 2/20 0.46
PTGS1 P23219 2/20 0.46

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
SCHEMBL4098539 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL4091528 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL1042432 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL2516564 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL4096915 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL2514429 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL4103357 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL1044464 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL2514977 1.00 PTGS2 (0.51) PTGS2CYP1A1TTRALOX5CYP1B1
SCHEMBL2515023 0.96 TTR (0.50) PTGS2CYP1A1TTRALOX5CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250251-A1 Cosmetic Methods And Compositions For Repairing Human Skin MAES DANIEL H 2011-10-13 US claimed
EP-2445511-B1 SKIN REPAIR COMPOSITIONS COMPRISING CIRCADIAN GENE ACTIVATORS AND A SYNERGISTIC COMBINATION OF SIRT1 GENE ACTIVATORS ELC MAN LLC (US) 2016-09-07 EP disclosed
US-8703161-B2 Skin repair compositions comprising circadian gene activators and a synergistic combination of Sirt1 gene activators ELC MANAGEMENT, LLC (US) 2014-04-22 US disclosed
WO-2014004339-A2 METHOD FOR STIMULATING CELLULAR BETA DEFENSINS ELC MANAGEMENT LLC (US) 2014-01-03 WO disclosed
EP-2445511-A2 SKIN REPAIR COMPOSITIONS COMPRISING CIRCADIAN GENE ACTIVATORS AND A SYNERGISTIC COMBINATION OF SIRT1 GENE ACTIVATORS ELC Management LLC (US) 2012-05-02 EP disclosed
US-20110250251-A1 Cosmetic Methods And Compositions For Repairing Human Skin MAES DANIEL H 2011-10-13 US disclosed
WO-2011005406-A2 SKIN REPAIR COMPOSITIONS COMPRISING CIRCADIAN GENE ACTIVATORS AND A SYNERGISTIC COMBINATION OF SIRT1 GENE ACTIVATORS ELC MANAGEMENT LLC (US) 2011-01-13 WO disclosed
US-20100028317-A1 Skin Repair Compositions Comprising Circadian Gene Activators And A Synergistic Combination Of Sirt1 Gene Activators ELC MANAGEMENT LLC 2010-02-04 US 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 (2 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-20100028317-A1 Skin Repair Compositions Comprising Circadian Gene Activators And A Synergistic Combination Of Sirt1 Gene Activators CRY1, PER2, SIRT1 PTGS2 4175/4885CYP1A1 1738/4885TTR 3953/4885
US-20110250251-A1 Cosmetic Methods And Compositions For Repairing Human Skin CUTA, ERCC1, OGG1 PTGS2 3235/4885CYP1A1 253/4885TTR 1842/4885

“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.