SCHEMBL516003

SCHEMBL516003

CCCCCNc1cccc(NCCCCC)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.51
KCNH3 Q9ULD8 1/20 0.50
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
DNM2 P50570 4/20 0.49
SOAT1 P35610 2/20 0.46
HCAR3 P49019 1/20 0.46
CNR1 P21554 2/20 0.46
APP P05067 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL10338468 0.90 CNR1 (0.52) TLR8KCNH3CHRNB2CHRNB4CHRNA3
SCHEMBL18913398 0.87 DNM2 (0.47) TLR8DNM2SOAT1NPC1ALDH1A1
SCHEMBL9299788 0.87 TLR8 (0.53) TLR8KCNH3CHRNB2CHRNB4CHRNA3
SCHEMBL11498443 0.87 TLR8 (0.45) TLR8KCNH3CHRNB2CHRNB4CHRNA3
SCHEMBL17364403 0.85 CHRNB2 (0.51) TLR8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11721783 0.82 TLR8 (0.51) TLR8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8396192 0.81 TLR8 (0.58) TLR8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30449687 0.79 CYP2C19 (0.59) TLR8SOAT1HCAR3
SCHEMBL515358 0.79 CYP2C19 (0.59) TLR8SOAT1HCAR3
SCHEMBL1234357 0.78 NCF1 (0.55) TLR8KCNH3DNM2NPC1RAB9A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US claimed
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
EP-1797867-A1 Cosmetic or pharmaceutical composition comprising a copolymer containing at least one ionisable group, and cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
EP-3548544-B1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS OREAL (FR) 2021-07-21 EP disclosed
US-10973751-B2 Hair dyeing process comprising a pigment and an aqueous dispersion of supramolecular polymer L'OREAL (FR) 2021-04-13 US disclosed
US-20200108007-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'OREAL (FR) 2020-04-09 US disclosed
EP-3606502-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'Oreal (FR) 2020-02-12 EP disclosed
EP-3548544-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2019-10-09 EP disclosed
US-20190274946-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2019-09-12 US disclosed
WO-2018185335-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'OREAL (FR) 2018-10-11 WO disclosed
WO-2018099827-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2018-06-07 WO disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed
EP-0771190-B1 LOCK AND KEY MICELLES UNIV SOUTH FLORIDA (US) 2006-03-08 EP disclosed
US-6566409-B1 For use in radio-imaging, drug delivery, catalysis, affinity filtration for separating enantiomers UNIVERSITY OF SOUTH FLORIDA 2003-05-20 US disclosed
EP-0771190-A4 LOCK AND KEY MICELLES UNIV SOUTH FLORIDA (US) 2000-12-20 EP disclosed
US-6130209-A Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 2000-10-10 US disclosed
US-5863919-A Lock and key micelles and monomer building blocks therefor UNIVERSITY OF SOUTH FLORIDA (US) 1999-01-26 US disclosed
US-5650101-A Lock and key micelles UNIVERSITY OF SOUTH FLORIDA (US) 1997-07-22 US disclosed
EP-0771190-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1997-05-07 EP disclosed
WO-1996003114-A1 LOCK AND KEY MICELLES UNIVERSITY OF SOUTH FLORIDA (US) 1996-02-08 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 (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-20190274946-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS KRT18, DSG1, CUTA TLR8 2127/4885KCNH3 66/4885CHRNB2 1971/4885
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment KRT18, TST, CTH TLR8 1771/4885KCNH3 2953/4885CHRNB2 3300/4885
US-10973751-B2 Hair dyeing process comprising a pigment and an aqueous dispersion of supramolecular polymer TYR, NACA, POLR1C TLR8 3795/4885KCNH3 1478/4885CHRNB2 2712/4885
US-20200108007-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER TYR, NACA, POLR1C TLR8 3795/4885KCNH3 1478/4885CHRNB2 2712/4885

“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.