SCHEMBL6334673

SCHEMBL6334673

CCOc1cc[n+](CC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
NSD2 O96028 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 1/20 0.42
RAD52 P43351 1/20 0.42
RECQL P46063 1/20 0.42
NCOA2 Q15596 1/20 0.42

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
SCHEMBL6339457 0.94 L3MBTL1 (0.39) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
SCHEMBL6330866 0.81 RAB9A (0.47) ALDH1A1MAPTL3MBTL1NPSR1LMNA
SCHEMBL20618216 0.77 KDM4E (0.48) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
SCHEMBL1476988 0.74 KDM4E (0.57) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
SCHEMBL14201078 0.74 KDM4E (0.43) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
SCHEMBL25058906 0.73 KDM4E (0.48) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
SCHEMBL5710350 0.73 KDM4E (0.44) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
Iodide SCHEMBL30920085 0.73 KDM4E (0.56) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
Hydrochloric Acid SCHEMBL6333321 0.73 KDM4E (0.55) ALDH1A1MAPTL3MBTL1KDM4ENPSR1
Bromide SCHEMBL2482814 0.73 KDM4E (0.59) ALDH1A1MAPTL3MBTL1KDM4ENPSR1

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-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US claimed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 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-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 ALDH1A1 9/4885MAPT 1389/4885L3MBTL1 4311/4885

“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.