SCHEMBL3072771

SCHEMBL3072771

COCCOCCOCCON

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ODC1 P11926 1/20 0.32

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
SCHEMBL11885389 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL16438222 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL10196037 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL6555701 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL4863760 1.00
SCHEMBL317775 0.90
SCHEMBL30130365 0.88 CA2 (0.34) CA2ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL1781746 0.87
SCHEMBL28880086 0.85 CA2 (0.34) CA2
SCHEMBL23647292 0.83 CA2 (0.44) CA2

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-118638389-A Shape memory composite material and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-09-13 CN claimed
CN-118638389-A Shape memory composite material and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-09-13 CN disclosed
US-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2020-11-24 US disclosed
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2019-03-07 US disclosed
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2019-01-29 US disclosed
US-9757410-B2 Flexible poly-p-(phenyleneethynylene)s with controlled conjugation length and biodegradable conjugated polymers for target organelle specific labeling and drug delivery THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2017-09-12 US disclosed
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE NEKTAR THERAPEUTICS 2017-03-09 US disclosed
US-9458248-B2 Cellulose mixed esters RESENE PAINTS LIMITED (NZ) 2016-10-04 US disclosed
US-20140331895-A1 ORGANIC COMPOUNDS RESENE PAINTS LIMITED (NZ) 2014-11-13 US disclosed
CN-101522607-B Preparation method of polyether amine CLARIANT FINANCE BVI LTD 2014-03-12 CN disclosed
US-20100069671-A1 Process For Preparing Polyetheramines CLARIANT FINANCE (BVI) LIMITED (VG) 2010-03-18 US disclosed
CN-101522607-A Preparation method of polyether amine CLARIANT INT LTD (VG) 2009-09-02 CN disclosed
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER Sessler, Jonathan L. (US) 2009-08-20 US disclosed
WO-2009086835-A1 NOVEL CYANOGUANIDINES TOPOTARGET A/S (DK) 2009-07-16 WO disclosed
US-20090177013-A1 Polyetheramine Production Method CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-07-09 US disclosed
US-7528125-B2 Water-soluble zinc ionophores, zinc chelators, and/or zinc complexes and use for treating cancer Sessler, Jonathan L. (US) 2009-05-05 US disclosed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
US-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER PHARMACYCLICS, INC (US) 2007-09-20 US disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO disclosed
CN-1732290-A Hydrophobic-hydrophilic compounds for the treatment of metal surfaces BASF AG (DE) 2006-02-08 CN 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-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 CA2 200/4885ADRB2 157/4885ADRB1 455/4885
US-20190071454-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 CA2 200/4885ADRB2 157/4885ADRB1 455/4885
US-20090177013-A1 Polyetheramine Production Method PNMT, HRH3, HRH4 CA2 690/4885ADRB2 2368/4885ADRB1 2985/4885
US-20170066782-A1 DERIVATIVES OF 6-(2,3-DICHLOROPHENYL)-1,2,4-TRIAZIN-5-AMINE KCNJ2, TRPC5, RYR2 CA2 200/4885ADRB2 157/4885ADRB1 455/4885
US-10189859-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 CA2 200/4885ADRB2 157/4885ADRB1 455/4885
US-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 CA2 2104/4885ADRB2 4876/4885ADRB1 4874/4885
US-20100069671-A1 Process For Preparing Polyetheramines OXER1, OXGR1, NR1H3 CA2 731/4885ADRB2 1130/4885ADRB1 1500/4885
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 CA2 2104/4885ADRB2 4876/4885ADRB1 4874/4885

“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.