SCHEMBL914152

SCHEMBL914152

COc1cccc2occ(C=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.49
ERN1 O75460 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
MAOA P21397 5/20 0.44
MAOB P27338 3/20 0.44
PTPN1 P18031 2/20 0.44
EDNRA P25101 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
AR P10275 2/20 0.40

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
SCHEMBL29952626 0.89 PTPN1 (0.51) TLR2ERN1TLR1TLR6MAOA
SCHEMBL1573192 0.89 PTPN1 (0.51) TLR2ERN1TLR1TLR6MAOA
SCHEMBL14341669 0.83 MAOA (0.41) TLR2ERN1TLR1TLR6MAOA
SCHEMBL28110046 0.75 ALDH1A1 (0.52) ERN1MAOAMAOBALDH1A1KDM4E
SCHEMBL916641 0.75 EDNRA (0.46) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL27432996 0.74 MAOB (0.47) ERN1MAOAMAOBPTPN1POLB
SCHEMBL7532517 0.73 TLR2 (0.41) TLR2ERN1TLR1TLR6MAOA
SCHEMBL28467498 0.72 MAOA (0.54) MAOAEDNRAALDH1A1KDM4EHPGD
SCHEMBL11876962 0.72 PTPN1 (0.47) TLR2ERN1TLR1TLR6MAOA
SCHEMBL22645757 0.71 MAOA (0.41) MAOAEDNRAALDH1A1KDM4EHPGD

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 TLR2 960/4885ERN1 4203/4885TLR1 618/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 TLR2 981/4885ERN1 4147/4885TLR1 605/4885

“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.