SCHEMBL4956201

SCHEMBL4956201

COn1ccc2cc(O)c(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
GAA P10253 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIK3CB P42338 1/20 0.34
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PRKCI P41743 1/20 0.33
GFER P55789 1/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 1/20 0.31
DAO P14920 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
SCHEMBL4952945 0.93 ALDH1A1 (0.37) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL4951595 0.85 PRKCI (0.37) PIK3CBPRKCI
SCHEMBL4951865 0.85 ACHE (0.40) ACHEDAO
SCHEMBL4951558 0.83 ALDH1A1 (0.33) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL4954410 0.82 ALDH1A1 (0.35) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL5317643 0.78
SCHEMBL4959823 0.77 ALDH1A1 (0.33) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL4952825 0.76 ALDH1A1 (0.35) ALDH1A1GAAMEN1MAPTRECQL
SCHEMBL4951821 0.74 ROCK1 (0.36) ALDH1A1MAPTKDM4E
SCHEMBL4951851 0.73 CDC7 (0.40) ALDH1A1GAAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C ALDH1A1 510/4885GAA 3744/4885MEN1 4858/4885

“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.