SCHEMBL5157440

SCHEMBL5157440

CCN(CCO)c1ccc(N)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SLC29A1 Q99808 1/20 0.35
PSMD14 O00487 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5153903 0.89
SCHEMBL5486073 0.85 ALDH1A1 (0.52) HTTALDH1A1L3MBTL1PSMD14CYP3A4
SCHEMBL5153563 0.78 PRKDC (0.38) ALDH1A1L3MBTL1MAPT
SCHEMBL5157895 0.68 KDM4E (0.37) HTTALDH1A1SLC29A1MAPTKMT2A
SCHEMBL33593 0.68 ALDH1A1 (0.69) ALDH1A1L3MBTL1SLC29A1PSMD14CYP3A4
SCHEMBL8038944 0.68 ALDH1A1 (0.50) HTTALDH1A1L3MBTL1SLC29A1PSMD14
SCHEMBL5039687 0.67 SLC29A1 (0.36) HTTSLC29A1PSMD14MAPTKMT2A
SCHEMBL7039471 0.67 ALDH1A1 (0.67) ALDH1A1L3MBTL1SLC29A1PSMD14CYP3A4
Water SCHEMBL3892656 0.67 ALDH1A1 (0.67) ALDH1A1L3MBTL1SLC29A1PSMD14CYP3A4
Hydrochloric Acid SCHEMBL1154300 0.67 ALDH1A1 (0.67) ALDH1A1L3MBTL1SLC29A1PSMD14CYP3A4

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 HTT 1441/4885ALDH1A1 782/4885L3MBTL1 4673/4885

“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.