SCHEMBL916178

SCHEMBL916178

COc1ccc2occ(COc3cccc4[nH]c(C(=O)O)cc34)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
MTNR1A P48039 9/20 0.45
MTNR1B P49286 3/20 0.45
NQO2 P16083 1/20 0.45
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL914627 0.92 SRD5A2 (0.55) SRD5A2RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL914148 0.87 SRD5A2 (0.58) SRD5A2RAB9AKMT2ANPC1POLB
SCHEMBL914652 0.86 SRD5A2 (0.57) SRD5A2KMT2ANPC1KDM4EALDH1A1
SCHEMBL913950 0.86 SRD5A2 (0.65) SRD5A2RAB9AKMT2ANPC1POLB
SCHEMBL916236 0.85 SRD5A2 (0.58) SRD5A2RAB9AKMT2ANPC1POLB
SCHEMBL913502 0.85 SRD5A2 (0.53) SRD5A2RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL913977 0.84 SRD5A2 (0.57) SRD5A2MTNR1AMTNR1BRAB9AKMT2A
SCHEMBL914739 0.84 SRD5A2 (0.60) SRD5A2MTNR1AMTNR1BRAB9AKMT2A
SCHEMBL2313931 0.83 SRD5A2 (0.54) SRD5A2MTNR1ARAB9AKMT2AL3MBTL1
SCHEMBL14135129 0.83 SRD5A2 (0.52) SRD5A2RAB9AKMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US claimed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US claimed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP claimed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO claimed
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 SRD5A2 849/4885MTNR1A 631/4885MTNR1B 392/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885MTNR1A 633/4885MTNR1B 401/4885

“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.