SCHEMBL914799

SCHEMBL914799

CCOC(=O)c1oc2cc(F)ccc2c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
AHR P35869 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 4/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PLK1 P53350 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
AKR1B1 P15121 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 3/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL31015899 0.88 KDM4E (0.46) KDM4EAHRALDH1A1MAPTHSD17B10
SCHEMBL25205148 0.88 KDM4E (0.46) KDM4EAHRALDH1A1MAPTHSD17B10
SCHEMBL20893409 0.87 KDM4E (0.52) KDM4EAHRALDH1A1MAPTHSD17B10
SCHEMBL18394631 0.85 KDM4E (0.67) KDM4EAHRALDH1A1MAPTHSD17B10
SCHEMBL2317088 0.82 KDM4E (0.57) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL6964091 0.80 KDM4E (0.71) KDM4EAHRALDH1A1MAPTHSD17B10
SCHEMBL20893375 0.79 MAPT (0.62) KDM4EAHRALDH1A1MAPTTSHR
SCHEMBL30136795 0.79 MAPT (0.62) KDM4EAHRALDH1A1MAPTTSHR
SCHEMBL14709428 0.79 MEN1 (0.56) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL13155390 0.78 PTGS2 (0.47) KDM4EAHRALDH1A1MAPTHSD17B10

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 7 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-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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (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 1926/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885AHR 1933/4885ALDH1A1 1732/4885

“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.