SCHEMBL7912368

SCHEMBL7912368

CCCCCCCCCCCCCCCCC(NC(=O)CCCCCCCCCCCCC)C(C)=O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.66
FAAH O00519 4/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MAPK1 P28482 1/20 0.59
SLC6A5 Q9Y345 2/20 0.56
DNM1 Q05193 1/20 0.53
PLA2G2C Q5R387 1/20 0.53
HSP90AA1 P07900 1/20 0.50
PLA2G10 O15496 2/20 0.49

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
SCHEMBL18122074 1.00 NOD1 (0.66) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL21578572 0.98 NOD1 (0.63) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL16644868 0.95 NOD1 (0.60) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL22184249 0.92 SLC6A5 (0.67) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL12749410 0.92 SLC6A5 (0.67) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL23447033 0.91 NOD1 (0.56) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL18637452 0.88 DNM1 (0.57) NOD1FAAHKMT2AMEN1MAPK1
SCHEMBL13214013 0.88 NOD1 (0.61) NOD1FAAH
SCHEMBL13214006 0.88 NOD1 (0.61) NOD1FAAH
SCHEMBL7520670 0.88 NOD1 (0.64) NOD1FAAHKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 US disclosed
WO-2010053550-A2 CXCR4 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 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 (1 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-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 NOD1 613/4885FAAH 4015/4885KMT2A 4134/4885

“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.