SCHEMBL5039760

SCHEMBL5039760

Nc1cc2oc(NCCO)nc2o1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.31
IKBKB O14920 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL5037006 0.73 CYP2D6 (0.36) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL5039531 0.72 KDM4E (0.36) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL5036642 0.71
SCHEMBL5036333 0.71 CYP2D6 (0.37) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL5039293 0.69 CYP2D6 (0.34) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL5039652 0.69 ALDH1A1 (0.44) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL5036574 0.69 ILK (0.36) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL5157908 0.67 KDM4E (0.35) CYP2D6CYP2C19MAPK1MEN1GAA
SCHEMBL1990188 0.67 KDM4E (0.53) MAPK1GAAPOLBKDM4ERECQL
SCHEMBL4423482 0.67 CYP2D6 (0.36) CYP2D6CYP2C19MAPK1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B CYP2D6 1077/4885CYP2C19 1794/4885MAPK1 2619/4885

“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.