SCHEMBL6478580

SCHEMBL6478580

CC(c1cc(N)ccc1N)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
THRB P10828 3/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
SLC6A3 Q01959 3/20 0.37
HTT P42858 3/20 0.35
ALOX15 P16050 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6476590 0.83 GAA (0.41) ALDH1A1MAPTGAAKDM4ENPC1
SCHEMBL5682720 0.83 ACHE (0.44) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL6705805 0.77 SLC6A3 (0.37) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL6882632 0.74 CYP2D6 (0.50) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL6486185 0.73 CASP1 (0.41) ALDH1A1POLBMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL8786948 0.73 CYP2D6 (0.48) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL3576037 0.72 CYP2D6 (0.52) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL13247637 0.72 CYP2D6 (0.52) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL29433029 0.71 CASP1 (0.42) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL33893 0.71 CASP1 (0.42) ALDH1A1POLBMEN1MAPTKMT2A

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-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6780999-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-08-24 US disclosed
EP-1353895-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-10-22 EP disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002058632-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLARIOL, INC. (US) 2002-08-01 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-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 ALDH1A1 7/4885POLB 247/4885MEN1 3441/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 ALDH1A1 7/4885POLB 247/4885MEN1 3441/4885

“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.