SCHEMBL4562850

SCHEMBL4562850

CCN(CC)CCCNCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
CA3 P07451 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.46
ALOX15 P16050 3/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL323710 0.93 TDP1 (0.61) PAOXTDP1CA12CA6CA7
SCHEMBL427900 0.91 TDP1 (0.59) PAOXTDP1CA12CA6CA7
SCHEMBL4562189 0.91 PAOX (0.55) PAOXTDP1CA12CA6CA7
SCHEMBL759902 0.90 PAOX (0.61) PAOXTDP1CYP2C19MEN1KMT2A
SCHEMBL4562729 0.89 PAOX (0.58) PAOXTDP1CA12CA6CA7
Hydrochloric Acid SCHEMBL6114403 0.89 UBE2N (0.58) PAOXTDP1CA12CA6CA7
Hydrochloric Acid SCHEMBL28341342 0.89 UBE2N (0.58) PAOXTDP1CA12CA6CA7
SCHEMBL4561516 0.89 PAOX (0.58) PAOXTDP1CA12CA6CA7
Trientine SCHEMBL8987400 0.88 CA12 (0.50) PAOXTDP1CA12CA6CA7
Trientine SCHEMBL2186312 0.88 CA12 (0.55) PAOXTDP1CA12CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107073438-B Method for separating meta-xylene using zeolite adsorbent having large external surface area IFP新能源公司 2020-09-01 CN disclosed
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-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 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-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-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
WO-2009148659-A2 ANTIMALARIAL QUINOLINES AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2009-12-10 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 (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 PAOX 717/4885TDP1 841/4885CA12 123/4885
US-20110154583-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 PAOX 717/4885TDP1 841/4885CA12 123/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 PAOX 717/4885TDP1 841/4885CA12 123/4885
US-20140013520-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 PAOX 717/4885TDP1 841/4885CA12 123/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 PAOX 717/4885TDP1 841/4885CA12 123/4885

“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.