SCHEMBL6330866

SCHEMBL6330866

CCOc1cc[n+](C)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
RCE1 Q9Y256 1/20 0.47
CHAT P28329 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
RAD52 P43351 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NTSR1 P30989 1/20 0.37
CCR6 P51684 1/20 0.37
MCL1 Q07820 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2335412 0.84 RAB9A (0.42) RAB9ARCE1CHATMAPTNPSR1
Iodide SCHEMBL14740160 0.83 KCNA3 (0.41) RAB9ARCE1CHATMAPTNPSR1
SCHEMBL6334673 0.81 ALDH1A1 (0.42) RAB9AALDH1A1MAPTNPSR1RAD52
SCHEMBL6334665 0.79 RAB9A (0.47) RAB9ARCE1CHATMAPTNPSR1
SCHEMBL6339457 0.76 L3MBTL1 (0.39) RAB9AALDH1A1MAPTNPSR1RAD52
SCHEMBL6559787 0.75 RAB9A (0.44) RAB9ARCE1CHATMAPTNPSR1
SCHEMBL30611103 0.74 RAB9A (0.69) RAB9ARCE1CHATALDH1A1MAPT
SCHEMBL50817 0.74 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1PKMHTT
SCHEMBL29378631 0.74 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1PKMHTT
SCHEMBL6745095 0.74 RAB9A (0.46) RAB9ARCE1CHATMAPTNPSR1

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 RAB9A 4719/4885RCE1 4122/4885CHAT 3207/4885

“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.