SCHEMBL2786302

SCHEMBL2786302

BrC=CCNc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CTSD P07339 1/20 0.36
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.35
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL14647878 0.85 ALDH1A1 (0.52) ALDH1A1MAPTCA12CA2CA9
SCHEMBL12710386 0.85 ALDH1A1 (0.52) ALDH1A1MAPTCA12CA2CA9
SCHEMBL7713318 0.77 ALDH1A1 (0.44) ALDH1A1MAPTCA12CA2CA9
SCHEMBL16905688 0.77 MAPT (0.44) ALDH1A1MAPTCA12CA2CA9
SCHEMBL8516547 0.77 CA12 (0.45) ALDH1A1MAPTCA12CA2CA9
SCHEMBL646261 0.77 ALDH1A1 (0.44) ALDH1A1MAPTCA12CA2CA9
SCHEMBL4964230 0.77 ALDH1A1 (0.44) ALDH1A1MAPTCA12CA2CA9
SCHEMBL2350761 0.77 MAPT (0.44) ALDH1A1MAPTCA12CA2CA9
SCHEMBL7713321 0.77 ALDH1A1 (0.44) ALDH1A1MAPTCA12CA2CA9
SCHEMBL3337537 0.77 ALDH1A1 (0.50) ALDH1A1MAPTCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP disclosed
US-7658771-B2 Coloring agents for keratin fibers THE PROCTER & GABLE COMPANY (US) 2010-02-09 US disclosed
US-7658770-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2010-02-09 US disclosed
US-20090165221-A1 Agents for Coloring Keratin Fibers WELLA OPERATIONS US, LLC 2009-07-02 US disclosed
US-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide WELLA OPERATIONS US, LLC 2009-06-25 US disclosed
US-7513916-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-7513917-B2 Coloring agents for keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-20070199160-A1 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY 2007-08-30 US disclosed
WO-2007097930-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-30 WO disclosed
US-20070199161-A1 Coloring agents for keratin fibers WELLA OPERATIONS US, LLC 2007-08-30 US disclosed
EP-1825883-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-29 EP disclosed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
EP-1820537-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP disclosed
EP-1820536-A1 Coloring agents for keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP 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-20090165221-A1 Agents for Coloring Keratin Fibers KRT18, IK, KRTCAP2 ALDH1A1 1069/4885MAPT 781/4885CA12 128/4885
US-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide KRT18, TPM4, TUBB1 ALDH1A1 243/4885MAPT 823/4885CA12 1047/4885
US-20070199161-A1 Coloring agents for keratin fibers KRT18, IK, KRTCAP2 ALDH1A1 1070/4885MAPT 859/4885CA12 153/4885
US-20070199160-A1 Agents for coloring keratin fibers KRT18, IK, KRTCAP2 ALDH1A1 1069/4885MAPT 781/4885CA12 128/4885

“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.