SCHEMBL4904609

SCHEMBL4904609

OCCNc1ccnn1NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 4/20 0.40
GAA P10253 4/20 0.40
GLA P06280 3/20 0.40
RAD52 P43351 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 3/20 0.39
TSHR P16473 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
RECQL P46063 1/20 0.32
MCL1 Q07820 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 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
SCHEMBL4906019 0.77 KDM4E (0.33) KDM4EALDH1A1POLBGAAGLA
SCHEMBL4917144 0.70 KDM4E (0.33) KDM4EALDH1A1POLBGAAGLA
SCHEMBL8078489 0.63 NPBWR1 (0.47) KDM4EALDH1A1RAB9AHPGDTP53
SCHEMBL27943632 0.63
SCHEMBL126959 0.63 SMPD3 (0.35) KDM4EALDH1A1POLBGAARAB9A
SCHEMBL5756006 0.62 IL1B (0.53) KDM4EALDH1A1POLBGAAGLA
SCHEMBL4913528 0.60 CYP2D6 (0.32) CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5756281 0.60 IL1B (0.51) KDM4EALDH1A1POLBGAAGLA
SCHEMBL4908944 0.59 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL146803 0.59

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
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
CN-101010062-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 KDM4E 329/4885ALDH1A1 420/4885POLB 773/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 KDM4E 329/4885ALDH1A1 420/4885POLB 773/4885

“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.