SCHEMBL8948382

SCHEMBL8948382

O=[N+]([O-])c1cc(NCCCO)ccc1N(CCO)CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH3A1 P30838 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HCAR3 P49019 2/20 0.43
NSD2 O96028 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
BCL6 P41182 2/20 0.41
BCOR Q6W2J9 2/20 0.41
GSTM2 P28161 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4011733 0.92 ALDH1A1 (0.60) ALDH1A1TSHRTDP1ALDH3A1KDM4E
SCHEMBL3380429 0.79 EGFR (0.58) ALDH1A1TSHRKDM4EBCL6BCOR
SCHEMBL8643871 0.79 LMNA (0.52) ALDH1A1ALDH3A1MAPTSMN1; SMN2MEN1
SCHEMBL8645160 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTDP1HCAR3BCL6
SCHEMBL11271443 0.79 ALDH1A1 (0.61) ALDH1A1TSHRTDP1ALDH3A1KDM4E
SCHEMBL8341967 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1ALDH3A1KDM4E
SCHEMBL8893715 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTDP1ALDH3A1KDM4E
SCHEMBL7811934 0.77 HCAR3 (0.51) ALDH1A1TSHRTDP1KDM4EHCAR3
SCHEMBL7031913 0.77 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HCAR3BCL6
SCHEMBL8645124 0.77 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HCAR3BCL6

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 23 patents — showing the first 20. 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-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 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-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-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-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-11-06 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-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-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-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed
WO-2011084803-A2 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-07-14 WO disclosed
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 US disclosed
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2011-06-30 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 (5 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 ALDH1A1 192/4885TSHR 4752/4885TDP1 841/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TSHR 4752/4885TDP1 841/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TSHR 4752/4885TDP1 841/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TSHR 4752/4885TDP1 841/4885
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 ALDH1A1 192/4885TSHR 4752/4885TDP1 841/4885

“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.