SCHEMBL6333317

SCHEMBL6333317

CC[n+]1ccc(Cl)c2ccc(OC)cc21.F[B-](F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 5/20 0.33
MAPT P10636 5/20 0.33
PPM1A P35813 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GAA P10253 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6335121 0.94 NPC1 (0.38) NPC1RAB9AACHEMAPTPPM1A
SCHEMBL4624927 0.82 CHKA (0.40)
SCHEMBL4625719 0.76 KDM4E (0.41) NPC1RAB9AACHEMAPTPOLB
SCHEMBL6743884 0.71 CHKA (0.39)
SCHEMBL4625936 0.69 KDM4E (0.44) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL6334825 0.69 PTGER4 (0.38) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL6333892 0.68 HSD17B10 (0.44) MAPTPOLBKDM4EALDH1A1LMNA
SCHEMBL6340569 0.67 KDM4E (0.39) MAPTKDM4EHSD17B10
SCHEMBL6333065 0.67 HSD17B10 (0.40) ACHEMAPTPOLBKDM4EALDH1A1
SCHEMBL6744503 0.66 HSD17B10 (0.39) MAPTPOLBKDM4EALDH1A1LMNA

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 11 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
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US claimed
EP-1346719-A1 Dyeing compositions containing quinolinium salts Wella Aktiengesellschaft (DE) 2003-09-24 EP claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP 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
EP-1346719-A1 Dyeing compositions containing quinolinium salts Wella Aktiengesellschaft (DE) 2003-09-24 EP disclosed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 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 (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 NPC1 4709/4885RAB9A 4719/4885ACHE 4265/4885

“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.