SCHEMBL5430757

SCHEMBL5430757

OCC/N=C/c1c(O)cc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAOB P27338 1/20 0.36
CA2 P00918 7/20 0.36
CA12 O43570 5/20 0.35
KDM4E B2RXH2 1/20 0.35
CA9 Q16790 4/20 0.33
POLB P06746 1/20 0.33
MPI P34949 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL5430761 1.00 KMT2A (0.39) KMT2AMEN1GAAMAPTHTT
SCHEMBL5383220 0.80 KMT2A (0.43) KMT2AMEN1GAAMAPTHTT
SCHEMBL5383218 0.80 KMT2A (0.43) KMT2AMEN1GAAMAPTHTT
SCHEMBL5382962 0.79 CA2 (0.48) KMT2AMEN1GAAMAPTHTT
SCHEMBL5382965 0.79 CA2 (0.48) KMT2AMEN1GAAMAPTHTT
SCHEMBL5389166 0.79 ERN1 (0.49) KMT2AGAAMAPTERN1ALDH1A1
SCHEMBL5389170 0.79 ERN1 (0.49) KMT2AGAAMAPTERN1ALDH1A1
SCHEMBL5391060 0.77 ERN1 (0.41) KMT2AMEN1GAAMAPTHTT
SCHEMBL5391057 0.77 ERN1 (0.41) KMT2AMEN1GAAMAPTHTT
SCHEMBL5384281 0.77 ERN1 (0.42) KMT2AMEN1GAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 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 (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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 KMT2A 1260/4885MEN1 4420/4885GAA 4173/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 KMT2A 1075/4885MEN1 2301/4885GAA 4609/4885

“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.