SCHEMBL3308886

SCHEMBL3308886

CC(C)C(=O)O.COc1cccc(C=O)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.78
▸ TLR2 O60603 2/20 0.78
▸ TLR1 Q15399 2/20 0.78
▸ TLR6 Q9Y2C9 2/20 0.78
▸ KDM4E B2RXH2 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 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
Alanine SCHEMBL28051510 0.91 ERN1 (0.73) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL16004 0.88 ERN1 (1.00) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL929734 0.88 ERN1 (1.00) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL30485148 0.88 ERN1 (1.00) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL11407272 0.87 ERN1 (0.96) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL4450612 0.87 ERN1 (0.96) ERN1TLR2TLR1TLR6KDM4E
2-Methoxybenzaldehyde SCHEMBL15106199 0.85 TLR2 (0.54) ERN1TLR2TLR1TLR6KDM4E
Ethylene SCHEMBL28629154 0.85 ERN1 (0.93) ERN1TLR2TLR1TLR6KDM4E
Methylamine SCHEMBL28936774 0.85 ERN1 (0.93) ERN1TLR2TLR1TLR6KDM4E
SCHEMBL20677747 0.84 ERN1 (0.68) ERN1TLR2TLR1TLR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144987-B1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO KGAA (DE) 2014-06-04 — — EP disclosed
US-20100113616-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2010-05-06 — — US disclosed
EP-2144987-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS Henkel AG & Co. KGaA (DE) 2010-01-20 — — EP disclosed
WO-2008145470-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2008-12-04 — — 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-20100113616-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS CACNA1I, CACNA1G, CACNA1F ERN1 3096/4885TLR2 4082/4885TLR1 4162/4885

“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.

Send feedback