SCHEMBL6705808

SCHEMBL6705808

CCN(c1ccc(N)cc1)C(C)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ GFER P55789 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ RECQL P46063 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL6696875 0.85 ALDH1A1 (0.40) ALDH1A1GFERL3MBTL1CYP3A4TDP1
SCHEMBL6708640 0.81 S100B (0.49) ALDH1A1GFERCYP3A4TDP1TSHR
SCHEMBL1143293 0.74 ALDH1A1 (0.56) ALDH1A1GFERL3MBTL1CYP3A4TDP1
Hydrochloric Acid SCHEMBL1143292 0.72 ALDH1A1 (0.54) ALDH1A1GFERL3MBTL1CYP3A4TDP1
SCHEMBL9856682 0.71 TDP1 (0.52) ALDH1A1GFERL3MBTL1CYP3A4TDP1
SCHEMBL526297 0.71 TDP1 (0.52) ALDH1A1GFERL3MBTL1CYP3A4TDP1
SCHEMBL11580018 0.68 TDP1 (0.48) ALDH1A1GFERL3MBTL1CYP3A4TDP1
SCHEMBL6696798 0.68 S100B (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6882632 0.67 CYP2D6 (0.50) ALDH1A1L3MBTL1CYP3A4RECQLSLC6A3
SCHEMBL11629765 0.67 GAA (0.42) ALDH1A1L3MBTL1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506549-B1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition OREAL (FR) 1995-10-18 — — EP claimed
EP-0446132-B1 Keratinous fibres dyeing process with 6 or 7-monohydroxyindols at acidic pH and compositions OREAL (FR) 1994-09-14 — — EP claimed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 — — US claimed
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
US-5207798-A Hair dyes L'OREAL (FR) 1993-05-04 — — US disclosed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 — — US disclosed
US-4566875-A HAIR DYES L'OREAL (FR) 1986-01-28 — — US disclosed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 — — US disclosed
US-4289495-A HAIR DYES, STORAGE STABILITY L'OREAL (FR) 1981-09-15 — — 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 ALDH1A1 209/4885GFER 2933/4885L3MBTL1 3750/4885
US-20040158941-A1 Hair colouring and conditioning compositions FNIP1, CUTA, SHH ALDH1A1 1162/4885GFER 2795/4885L3MBTL1 4256/4885
US-20040158938-A1 Method for colouring hair COX5B, SHH, DNMT3A ALDH1A1 209/4885GFER 2933/4885L3MBTL1 3750/4885
US-20030113286-A1 Hair colouring and conditioning compositions FNIP1, CUTA, SHH ALDH1A1 1162/4885GFER 2795/4885L3MBTL1 4256/4885

“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.

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