SCHEMBL9964251

SCHEMBL9964251

CCCCCCCCCCCCCCCC(=O)NCCC[C@H](N)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.76
▸ FAAH O00519 4/20 0.57
▸ OTC P00480 1/20 0.55
▸ CASP2 P42575 1/20 0.54
▸ DNM1 Q05193 2/20 0.54
▸ DPP7 Q9UHL4 1/20 0.53
▸ EPHX2 P34913 3/20 0.52
▸ NAAA Q02083 1/20 0.51

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
SCHEMBL5946298 1.00 NOD1 (0.76) NOD1FAAHOTCCASP2DNM1
SCHEMBL16860689 1.00 NOD1 (0.76) NOD1FAAHOTCCASP2DNM1
SCHEMBL16860739 1.00 NOD1 (0.76) NOD1FAAHOTCCASP2DNM1
SCHEMBL16860754 1.00 NOD1 (0.76) NOD1FAAHOTCCASP2DNM1
SCHEMBL16860725 0.98 NOD1 (0.73) NOD1FAAHOTCCASP2DNM1
SCHEMBL16860753 0.98 NOD1 (0.73) NOD1FAAHOTCCASP2DNM1
SCHEMBL308741 0.95 NOD1 (0.74) NOD1FAAHCASP2DNM1DPP7
SCHEMBL1243678 0.95 NOD1 (0.74) NOD1FAAHCASP2DNM1DPP7
SCHEMBL15986104 0.95 NOD1 (0.74) NOD1FAAHCASP2DNM1DPP7
SCHEMBL13855547 0.95 NOD1 (0.74) NOD1FAAHCASP2DNM1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 — — US disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 — — US 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-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 NOD1 3643/4885FAAH 4334/4885OTC 2830/4885

“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.

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