SCHEMBL8949457

SCHEMBL8949457

CC(C)(C)CCCN(CCO)CCO

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL26455611 0.93 MAPT (0.32) MAPTHPGDMAPK1KDM4EALDH1A1
SCHEMBL26455616 0.91 MAPT (0.32) MAPTHPGDMAPK1KDM4EALDH1A1
SCHEMBL13044264 0.87
SCHEMBL8949497 0.84 MAPT (0.36) MAPTHPGDMAPK1KDM4EALDH1A1
SCHEMBL20199371 0.78 MAPT (0.38) MAPT
SCHEMBL13293940 0.77 FDPS (0.31)
SCHEMBL12437180 0.77 CA12 (0.34) MAPTALDH1A1
SCHEMBL12669645 0.76 CYP1A2 (0.33) MAPTHPGDMAPK1KDM4EALDH1A1
Trolamine SCHEMBL23040981 0.76 GPR84 (0.47) ALDH1A1HSD17B10
SCHEMBL22763803 0.75 LCK (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 US disclosed
US-8932370-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2015-01-13 US disclosed
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-11-06 US disclosed
US-8758451-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2014-06-24 US disclosed
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-01-16 US disclosed
US-8444715-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2013-05-21 US disclosed
US-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2012-11-01 US disclosed
US-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 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 (8 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-20120272990-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HPGD 738/4885MAPK1 3478/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HPGD 738/4885MAPK1 3478/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HPGD 738/4885MAPK1 3478/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HPGD 738/4885MAPK1 3478/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC MAPT 1798/4885HPGD 686/4885MAPK1 4569/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HPGD 738/4885MAPK1 3478/4885
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods HSP90AA1, HSP90AB1, HSP90B1 MAPT 3220/4885HPGD 1166/4885MAPK1 3411/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 MAPT 2715/4885HPGD 738/4885MAPK1 3478/4885

“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.