SCHEMBL5389166

SCHEMBL5389166

OCC/N=C/c1cc(O)cc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
PTPN1 P18031 1/20 0.41
CA12 O43570 8/20 0.40
CA2 P00918 7/20 0.40
KDM4E B2RXH2 3/20 0.40
CA9 Q16790 6/20 0.38
ALDH1A1 P00352 4/20 0.34
BACE1 P56817 1/20 0.34
CA1 P00915 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL5389170 1.00 ERN1 (0.49) ERN1PTPN1CA12CA2KDM4E
SCHEMBL4603307 0.83 ERN1 (0.50) ERN1CA12CA2KDM4ECA9
SCHEMBL4603308 0.83 ERN1 (0.50) ERN1CA12CA2KDM4ECA9
SCHEMBL5430761 0.79 KMT2A (0.39) ERN1CA12CA2KDM4ECA9
SCHEMBL5430757 0.79 KMT2A (0.39) ERN1CA12CA2KDM4ECA9
SCHEMBL5391283 0.78 BACE1 (0.52) CA12CA2KDM4ECA9ALDH1A1
SCHEMBL5710822 0.78 CA2 (0.48) ERN1CA12CA2KDM4ECA9
SCHEMBL5377841 0.78 CA2 (0.48) ERN1CA12CA2KDM4ECA9
SCHEMBL5710786 0.78 BACE1 (0.52) CA12CA2KDM4ECA9ALDH1A1
SCHEMBL5384774 0.75 ERN1 (0.45) ERN1CA12CA2KDM4ECA9

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 5 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
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

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-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ERN1 2205/4885PTPN1 3644/4885CA12 443/4885

“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.