SCHEMBL914583

SCHEMBL914583

COc1cccc2occ(CO)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
NQO1 P15559 1/20 0.43
EDNRA P25101 1/20 0.42
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.38
KDM5A P29375 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL11622418 0.88 MAOB (0.54) MAOAMAOBNQO1ESR1KDM5A
SCHEMBL11303554 0.87 NQO1 (0.41) MAOANQO1EDNRAALDH1A1KDM4E
SCHEMBL10669172 0.81 KDM4E (0.52) MAOANQO1EDNRAPSMB5ALDH1A1
SCHEMBL17785107 0.81 MAOA (0.39) MAOANQO1EDNRAPSMB5ALDH1A1
SCHEMBL11295236 0.81 TAAR1 (0.53)
SCHEMBL11304204 0.80 MAOA (0.38) MAOAMAOBNQO1EDNRAPSMB5
SCHEMBL25029804 0.78 HTR6 (0.55)
SCHEMBL10663831 0.78 HTR2A (0.41) MAOANQO1POLB
SCHEMBL25349315 0.78 MAPT (0.42) MAOANQO1EDNRAPSMB5ALDH1A1
SCHEMBL30886899 0.78 MAPT (0.42) MAOANQO1EDNRAPSMB5ALDH1A1

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 MAOA 3739/4885MAOB 2935/4885NQO1 2603/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MAOA 3868/4885MAOB 3073/4885NQO1 2780/4885

“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.