SCHEMBL914727

SCHEMBL914727

CCOC(=O)c1coc2cc(F)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL741818 0.84 CA12 (0.56) MAOBKDM4EHPGDHSD17B10TSHR
SCHEMBL31661203 0.83 MAOB (0.53) MAOBTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL2728922 0.83 MAOB (0.53) MAOBTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL2728294 0.83 MAOB (0.53) MAOBKDM4EHPGDHSD17B10TSHR
SCHEMBL2317769 0.82 MAOB (0.52) MAOBKDM4EHPGDHSD17B10MAPT
SCHEMBL743821 0.82 ALDH1A1 (0.57) MAOBKDM4EHPGDHSD17B10TSHR
SCHEMBL26131863 0.80 MAOB (0.50) MAOBKDM4EHSD17B10TSHRMAPT
SCHEMBL5259021 0.79 MAOB (0.81) MAOBKDM4EHSD17B10TSHRMAPT
SCHEMBL26125713 0.79 MAOB (0.49) MAOBKDM4EHPGDHSD17B10TSHR
SCHEMBL31264497 0.79 MAOB (0.49) MAOBKDM4EHPGDHSD17B10TSHR

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 MAOB 2935/4885KDM4E 4266/4885HPGD 716/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOB 3073/4885KDM4E 4275/4885HPGD 770/4885

“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.