SCHEMBL4029579

SCHEMBL4029579

CCC(C)OC(=O)CCC(=O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.39
KDM6B O15054 2/20 0.39
KDM5C P41229 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ACE P12821 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL644570 0.94 EGLN1 (0.43) EGLN1KDM6BKDM5CPHF8KDM2A
Butane SCHEMBL2861696 0.90 LMNA (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL4737199 0.87 EGLN1 (0.45) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL645070 0.85 CA12 (0.45) CA12CA1CA2CA3CA4
SCHEMBL6178633 0.85 CA12 (0.37) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL793167 0.82 TSHR (0.52) EPHX2LMNAKMT2ACYP1A2
SCHEMBL791222 0.82 LMNA (0.50) EPHX2LMNAMAPTKMT2A
SCHEMBL8092417 0.81 LMNA (0.53) EPHX2LMNAMAPTKMT2A
SCHEMBL4896865 0.81 LMNA (0.53) EPHX2LMNAMAPTKMT2A
SCHEMBL8087700 0.81 LMNA (0.53) EPHX2LMNAMAPTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244648-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORP (US) 2009-04-15 EP disclosed
US-20070060591-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2007-03-15 US disclosed
US-7022717-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-04-04 US disclosed
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds BRIDGER GARY J 2006-03-30 US disclosed
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2004-05-27 US disclosed
US-6667320-B2 For therapy of infalmmation; asthma, cancer, arthritis, multiple sclerosis; prophylaxis of infection of target cells by a human immunodeficiency virus (HIV) ANORMED (CA) 2003-12-23 US disclosed
EP-1244648-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-10-02 EP disclosed
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2002-06-20 US disclosed
WO-2001044229-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-06-21 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 (4 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-20070060591-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 EGLN1 1442/4885KDM6B 3163/4885KDM5C 1342/4885
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 EGLN1 1442/4885KDM6B 3163/4885KDM5C 1342/4885
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 EGLN1 1442/4885KDM6B 3163/4885KDM5C 1342/4885
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 EGLN1 1442/4885KDM6B 3163/4885KDM5C 1342/4885

“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.