SCHEMBL5377798

SCHEMBL5377798

Cc1cc(O)ccc1/C=N/CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.40
BACE1 P56817 1/20 0.38
CA12 O43570 6/20 0.38
CA2 P00918 5/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR2 Q92731 2/20 0.37
CA9 Q16790 4/20 0.36
ESR1 P03372 1/20 0.36
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5377801 1.00 ERN1 (0.43) ERN1ALDH1A1KDM4EKMT2ABACE1
SCHEMBL5391283 0.82 BACE1 (0.52) ALDH1A1KDM4EKMT2ABACE1CA12
SCHEMBL5710786 0.82 BACE1 (0.52) ALDH1A1KDM4EKMT2ABACE1CA12
SCHEMBL5711452 0.79 ALDH1A1 (0.39) ERN1ALDH1A1KDM4EKMT2ACA12
SCHEMBL5399111 0.79 ERN1 (0.57) ERN1ALDH1A1KDM4EKMT2ABACE1
SCHEMBL5399115 0.79 ERN1 (0.57) ERN1ALDH1A1KDM4EKMT2ABACE1
SCHEMBL5710814 0.79 ALDH1A1 (0.39) ERN1ALDH1A1KDM4EKMT2ACA12
SCHEMBL5377841 0.79 CA2 (0.48) ERN1ALDH1A1KDM4EBACE1CA12
SCHEMBL5710822 0.79 CA2 (0.48) ERN1ALDH1A1KDM4EBACE1CA12
SCHEMBL5384900 0.77 ERN1 (0.44) ERN1ALDH1A1KDM4EKMT2ACA12

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 ERN1 3791/4885ALDH1A1 343/4885KDM4E 577/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ERN1 2205/4885ALDH1A1 780/4885KDM4E 2103/4885

“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.