SCHEMBL4624294

SCHEMBL4624294

O=C1C(=O)N(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
ALDH3A1 P30838 5/20 0.78
CA1 P00915 3/20 0.78
CA2 P00918 3/20 0.78
TP53 P04637 1/20 0.76
CES1 P23141 3/20 0.70
BCHE P06276 3/20 0.70
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
DRD2 P14416 2/20 0.64
DRD4 P21917 1/20 0.64
HTR1A P08908 1/20 0.59
HTR6 P50406 1/20 0.59
TGM2 P21980 1/20 0.56
ALDH2 P05091 2/20 0.55
PARK7 Q99497 1/20 0.55
KDM1A O60341 1/20 0.54

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
SCHEMBL4624387 0.88 ALDH3A1 (1.00) ALDH1A1ALDH3A1CA1CA2TP53
SCHEMBL4625716 0.88 ALDH1A1 (0.97) ALDH1A1ALDH3A1CA1CA2TP53
SCHEMBL4625544 0.86 ALDH1A1 (1.00) ALDH1A1ALDH3A1CA1CA2TP53
SCHEMBL29281833 0.85 ALDH1A1 (0.78) ALDH1A1ALDH3A1CA1CA2TP53
SCHEMBL19924204 0.83 CES1 (1.00) ALDH1A1ALDH3A1CA1CA2TP53
SCHEMBL8556230 0.82 GRM5 (0.66) ALDH1A1ALDH3A1CA1CA2KDM4E
SCHEMBL9095875 0.81 DRD2 (0.83) ALDH1A1ALDH3A1TP53CES1BCHE
Hydrochloric Acid SCHEMBL27657032 0.81 GRM5 (0.64) ALDH1A1ALDH3A1CA1CA2KDM4E
SCHEMBL30892353 0.80 PARK7 (0.58) ALDH1A1ALDH3A1CA1CA2TP53
SCHEMBL29281835 0.80 PARK7 (0.58) ALDH1A1ALDH3A1CA1CA2TP53

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1705227-A2 New dyestuffs and colorants with specific carbonyl compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2006-09-27 EP claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US claimed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP disclosed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP disclosed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 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 (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-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 ALDH1A1 240/4885ALDH3A1 567/4885CA1 592/4885

“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.