SCHEMBL10064157

SCHEMBL10064157

CCNC(=O)CCCCCCC(=O)NCC

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.86
GAA P10253 1/20 0.54
HSP90AA1 P07900 1/20 0.52
DNM1 Q05193 2/20 0.50
EPHX2 P34913 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
RECQL P46063 1/20 0.50
CASP2 P42575 1/20 0.48
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13268369 1.00 FAAH (0.86) FAAHGAAHSP90AA1DNM1EPHX2
SCHEMBL9618659 0.97 FAAH (0.81) FAAHGAAHSP90AA1DNM1EPHX2
SCHEMBL8204892 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
SCHEMBL3915907 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
SCHEMBL8210761 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
SCHEMBL4141617 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
SCHEMBL4147161 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
N-Ethylpalmitamide SCHEMBL4148137 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
SCHEMBL8205915 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2
SCHEMBL11104897 0.93 FAAH (1.00) FAAHHSP90AA1DNM1EPHX2CASP2

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-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2012-03-29 US disclosed
WO-2010097604-A2 NEW COMPOUNDS UCL BUSINESS PLC (GB) 2010-09-02 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-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS CFTR, GNB1, GMPS FAAH 3404/4885GAA 1952/4885HSP90AA1 3870/4885

“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.