SCHEMBL889304

SCHEMBL889304

CCCOC(=O)CCN(CCNCCO)CCC(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
DNM1 Q05193 1/20 0.37
DGKA P23743 1/20 0.36
TOP2A P11388 2/20 0.35
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PAOX Q6QHF9 1/20 0.33
MGLL Q99685 1/20 0.33
ACHE P22303 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 1/20 0.31
POLB P06746 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL12792488 0.88 FAAH (0.47) DNM1DGKAACHEFAAHTHRA
SCHEMBL889201 0.84 PAOX (0.43) ALDH1A1GLADNM1DGKATOP2A
SCHEMBL12120246 0.83 DNM1 (0.48) ALDH1A1GLADNM1DGKATOP2A
SCHEMBL889188 0.82 DNM1 (0.42) ALDH1A1GLADNM1DGKATOP2A
SCHEMBL12847704 0.82 KMT2A (0.47) ALDH1A1MEN1KMT2APAOXLMNA
SCHEMBL889222 0.81 DNM1 (0.47) ALDH1A1GLADNM1DGKATOP2A
SCHEMBL9285472 0.80 FAAH (0.44) DNM1DGKAACHEFAAHTHRA
SCHEMBL889305 0.80 DNM1 (0.41) ALDH1A1GLADNM1DGKATOP2A
SCHEMBL12792232 0.80 FAAH (0.50) DNM1DGKAACHEFAAHTHRA
SCHEMBL889158 0.79 DNM1 (0.46) ALDH1A1GLADNM1DGKATOP2A

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 ALDH1A1 2506/4885GLA 4487/4885DNM1 4279/4885

“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.