SCHEMBL889186

SCHEMBL889186

CCCNC(=O)CCNCCCNCCC(=O)NCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.50
CASP2 P42575 1/20 0.50
CNR1 P21554 2/20 0.47
NAAA Q02083 1/20 0.47
EPHX1 P07099 3/20 0.47
FAAH O00519 4/20 0.46
MCL1 Q07820 1/20 0.45
DNM1 Q05193 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SELP P16109 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
SCHEMBL889187 0.94 CASP2 (0.53) PAOXCASP2CNR1NAAAEPHX1
SCHEMBL22694320 0.94 CASP2 (0.59) PAOXCASP2CNR1NAAAEPHX1
SCHEMBL889215 0.91 PAOX (0.48) PAOXCASP2CNR1NAAAEPHX1
SCHEMBL24793664 0.88 CNR1 (0.46) PAOXCASP2CNR1NAAAEPHX1
SCHEMBL8748159 0.87 CASP2 (0.61) PAOXCASP2CNR1NAAAEPHX1
SCHEMBL12792222 0.86 CASP2 (0.71) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12792233 0.86 CASP2 (0.71) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12792074 0.86 CASP2 (0.71) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791806 0.86 CASP2 (0.71) CASP2NAAAEPHX1FAAHDNM1
SCHEMBL12791920 0.86 CASP2 (0.71) CASP2NAAAEPHX1FAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-12 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-20120009222-A1 MODULATION OF THE IMMUNE RESPONSE FCGRT, MYD88, C3AR1 PAOX 1247/4885CASP2 2840/4885CNR1 958/4885

“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.