Zinc Ion

Zinc Ion

SCHEMBL1714698

Cc1cnc2c([O-])cccc2c1C.Cc1cnc2c([O-])cccc2c1C.[Zn+2]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.59
CCR8 P51685 2/20 0.59
CCR5 P51681 1/20 0.59
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 2/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 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
SCHEMBL1714162 0.96 CCR1 (0.59) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL1714865 0.96 CCR1 (0.59) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL1714606 0.96 CCR1 (0.59) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL862479 0.80 CCR1 (0.68) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL16132489 0.76 CCR1 (0.61) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL1715320 0.76 CCR1 (0.61) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL136654 0.75 CCR1 (1.00) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL28297883 0.75 CCR1 (1.00) CCR1CCR8CCR5NPC1HSP90AA1
SCHEMBL4303286 0.74 CCR1 (0.59) CCR1CCR8CCR5L3MBTL1CYP1A2
SCHEMBL2431810 0.74 CCR1 (0.59) CCR1CCR8CCR5NPC1HSP90AA1

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
EP-1486549-B1 ORGANIC ELECTROLUMINESCENT ELEMENT TOYOTA JIDOSHOKKI KK (JP) 2012-01-11 EP disclosed
EP-1755362-B1 ORGANIC EL DEVICE TOYOTA JIDOSHOKKI KK (JP) 2011-07-20 EP disclosed
US-7854998-B2 Organic EL devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2010-12-21 US disclosed
EP-1489154-B1 ORGANIC ELECTROLUMINESCENCE DEVICE TOYOTA JIDOSHOKKI KK (JP) 2009-05-13 EP disclosed
US-7521567-B2 Amine compound and uses thereof KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-21 US disclosed
US-20080290788-A1 Organic el Devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-11-27 US disclosed
US-7419727-B2 Organic electroluminescent device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2008-09-02 US disclosed
US-7338720-B2 Organic electroluminescent element KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-03-04 US disclosed
US-7252892-B2 Organic electroluminescence device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2007-08-07 US disclosed
EP-1755362-A1 ORGANIC EL DEVICE KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-02-21 EP disclosed
US-20070018568-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-01-25 US disclosed
US-20060228577-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-10-12 US disclosed
US-20060226421-A1 Amine compound and uses thereof KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KENKYUJO (JP) 2006-10-12 US disclosed
US-20060192473-A1 Organic electroluminescent device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2006-08-31 US disclosed
EP-1599074-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-11-23 EP disclosed
EP-1560469-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-08-03 EP disclosed
US-20050089713-A1 Organic electroluminescent element KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2005-04-28 US disclosed
US-20050084707-A1 Organic electroluminescence device KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-04-21 US disclosed
EP-1489154-A1 ORGANIC ELECTROLUMINESCENCE DEVICE Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-12-22 EP disclosed
EP-1486549-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2004-12-15 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 (3 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-20060226421-A1 Amine compound and uses thereof PNMT, TYR, PAM CCR1 4017/4885CCR8 2938/4885CCR5 2597/4885
US-20050084707-A1 Organic electroluminescence device ELAVL1, SELE, CELF2 CCR1 4055/4885CCR8 3680/4885CCR5 3402/4885
US-20050089713-A1 Organic electroluminescent element SOD3, CELF2, SOD1 CCR1 4096/4885CCR8 3768/4885CCR5 4084/4885

“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.