SCHEMBL4716290

SCHEMBL4716290

O=C1NC(=O)c2c(CC3CCOCO3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ CASP3 P42574 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ PRKCD Q05655 1/20 0.31

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
SCHEMBL30352814 0.89 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL25256110 0.89 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL25217371 0.89 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL25256112 0.89 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL476301 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL932859 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL3882337 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL30614595 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
Methane SCHEMBL28294512 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK10
SCHEMBL28871836 0.77 GSK3B (0.41) KDM4EALDH1A1HPGDHSD17B10MAPK10

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-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 — — US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 — — US disclosed
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 — — EP disclosed
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2016-08-11 — — US disclosed
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy ANORMED, INC. (CA) 2015-02-05 — — US disclosed
US-8778967-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2014-07-15 — — US disclosed
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2012-11-29 — — US disclosed
CN-102153540-A Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED INC 2011-08-17 — — CN disclosed
US-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORPORATION 2008-07-10 — — US disclosed
EP-1465889-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-05-14 — — EP disclosed
US-7354934-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 — — US disclosed
US-7354932-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2008-04-08 — — US disclosed
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2006-05-11 — — US disclosed
EP-1628533-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-03-01 — — EP disclosed
CN-1596255-A Heterocyclic compounds with potent chemokine receptor binding ANORMED INC (CA) 2005-03-16 — — CN disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 — — WO disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 — — EP disclosed
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2004-01-29 — — US disclosed
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED, INC. (CA) 2003-11-27 — — US disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 — — 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 (9 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-20080167341-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-20030220341-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-20060100240-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-20150038509-A1 Chemokine Receptor Binding Heterocyclic Compounds With Enhanced Efficacy CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-20120301427-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 KDM4E 2851/4885ALDH1A1 3259/4885HPGD 526/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-20160228413-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885
US-20040019058-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 KDM4E 2947/4885ALDH1A1 3305/4885HPGD 662/4885

“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.

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