SCHEMBL6705805

SCHEMBL6705805

CCNc1ccc(N)cc1C(C)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
RAD52 P43351 2/20 0.36
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GAA P10253 3/20 0.33
THRB P10828 2/20 0.33
GFER P55789 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PLEC Q15149 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR4A1 P22736 1/20 0.32
PTK2B Q14289 1/20 0.32
ACHE P22303 2/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL6478580 0.77 ALDH1A1 (0.39) SLC6A3MAPTNPC1ALDH1A1GAA
SCHEMBL5682720 0.75 ACHE (0.44) SLC6A3MAPTALDH1A1GAATHRB
SCHEMBL10780363 0.74 MAPT (0.41) MAPTALDH1A1GAATHRBGFER
SCHEMBL6708632 0.74 MAPT (0.32) SLC6A3MAPTNPC1ALDH1A1GAA
SCHEMBL7110306 0.71 SLC6A2 (0.32) SLC6A3MAPTALDH1A1GAAHTT
SCHEMBL6032332 0.69 ACHE (0.42) RAD52ALDH1A1GFERACHE
SCHEMBL6882632 0.67 CYP2D6 (0.50) SLC6A3MAPTNPC1ALDH1A1GAA
SCHEMBL15384343 0.67 MAPT (0.42) MAPTALDH1A1GAATHRBGFER
SCHEMBL14878651 0.66 GAA (0.58) MAPTALDH1A1GAATHRBGFER
Hydrochloric Acid SCHEMBL8786948 0.65 CYP2D6 (0.48) SLC6A3MAPTNPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040158941-A1 Hair colouring and conditioning compositions THE PROCTER & GAMBLE COMPANY (US) 2004-08-19 US disclosed
US-20040158938-A1 Method for colouring hair THE PROCTER & GAMBLE COMPANY 2004-08-19 US disclosed
US-6695888-B2 COMPLEX TRANSITION METAL HAIR DYE UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. 2004-02-24 US disclosed
US-20040019980-A1 One step hair coloring compositions using salts UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-02-05 US disclosed
US-20030113286-A1 Hair colouring and conditioning compositions THE PROCTER & GAMBLE COMPANY (US) 2003-06-19 US disclosed
US-20030110579-A1 Method for colouring hair THE PROCTER & GAMBLE COMPANY (US) 2003-06-19 US disclosed
US-20030066140-A1 Transition metal complexes as dye forming catalysts in hair coloring compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-04-10 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 (4 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-20030110579-A1 Method for colouring hair COX5B, SHH, DNMT3A SLC6A3 4274/4885RAD52 2054/4885MAPT 3941/4885
US-20040158941-A1 Hair colouring and conditioning compositions FNIP1, CUTA, SHH SLC6A3 4564/4885RAD52 79/4885MAPT 2803/4885
US-20040158938-A1 Method for colouring hair COX5B, SHH, DNMT3A SLC6A3 4274/4885RAD52 2054/4885MAPT 3941/4885
US-20030113286-A1 Hair colouring and conditioning compositions FNIP1, CUTA, SHH SLC6A3 4564/4885RAD52 79/4885MAPT 2803/4885

“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.