SCHEMBL916236

SCHEMBL916236

Cc1cc2occ(COc3cccc4[nH]c(C(=O)O)cc34)c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.58
ALOX15 P16050 1/20 0.45
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
FLT3 P36888 2/20 0.38
DAO P14920 1/20 0.38
SRD5A1 P18405 1/20 0.38
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL913950 0.86 SRD5A2 (0.65) SRD5A2KMT2ANPC1POLBRAB9A
SCHEMBL914524 0.85 SRD5A2 (0.58) SRD5A2KMT2ANPC1POLBRAB9A
SCHEMBL914148 0.85 SRD5A2 (0.58) SRD5A2KMT2ANPC1POLBRAB9A
SCHEMBL914627 0.85 SRD5A2 (0.55) SRD5A2KMT2ARAB9AFLT3MEN1
SCHEMBL916178 0.85 SRD5A2 (0.55) SRD5A2KMT2ANPC1POLBRAB9A
SCHEMBL914652 0.84 SRD5A2 (0.57) SRD5A2KMT2ANPC1DAOMEN1
SCHEMBL914749 0.84 SRD5A2 (0.57) SRD5A2KMT2ADAOMEN1KDM4E
SCHEMBL2313931 0.84 SRD5A2 (0.54) SRD5A2KMT2ANPC1POLBRAB9A
SCHEMBL913977 0.82 SRD5A2 (0.57) SRD5A2KMT2ANPC1POLBRAB9A
SCHEMBL914739 0.82 SRD5A2 (0.60) SRD5A2KMT2ANPC1POLBRAB9A

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 849/4885ALOX15 2449/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885ALOX15 2502/4885KMT2A 4125/4885

“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.