SCHEMBL6964091

SCHEMBL6964091

CCOC(=O)c1oc2ccccc2c1C(=O)OCC

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.71
AHR P35869 1/20 0.71
PLK1 P53350 1/20 0.68
ALDH1A1 P00352 7/20 0.63
LMNA P02545 1/20 0.61
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TSHR P16473 6/20 0.59
RAB9A P51151 2/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.55
HSD17B10 Q99714 4/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL28029090 0.86 KDM4E (0.69) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL719242 0.86 KDM4E (0.78) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL4775716 0.84 KDM4E (0.71) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL22960371 0.83 KDM4E (0.69) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL29502916 0.83 KDM4E (1.00) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL585270 0.83 KDM4E (1.00) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL30364386 0.83 ALDH1A1 (0.62) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL27818818 0.82 KDM4E (0.64) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL31475455 0.82 KDM4E (0.68) KDM4EAHRPLK1ALDH1A1LMNA
SCHEMBL10897719 0.82 PTGS2 (0.59) KDM4EAHRPLK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-5596100-A CYCLOADDITION REACTION OF SUBSTITUTED IODOBENZENES WITH ALKYNES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-01-21 US 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4266/4885AHR 1926/4885PLK1 4366/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885AHR 1933/4885PLK1 4350/4885

“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.