SCHEMBL889201

SCHEMBL889201

CCCOC(=O)CCNCCCN(CCC(=O)OCCC)CCC(=O)OCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.43
DNM1 Q05193 1/20 0.41
LTA4H P09960 4/20 0.40
DGKA P23743 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TOP2A P11388 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.36
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12792458 0.90 FAAH (0.48) PAOXDNM1DGKATHRATHRB
SCHEMBL889254 0.90 FAAH (0.48) PAOXDNM1DGKATHRATHRB
SCHEMBL12792529 0.90 FAAH (0.48) PAOXDNM1DGKATHRATHRB
SCHEMBL889280 0.89 KDM4E (0.38) PAOXDNM1LTA4HDGKAEPHX2
SCHEMBL29761176 0.86 FAAH (0.50) PAOXDNM1DGKATHRATHRB
SCHEMBL19976134 0.86 LTA4H (0.39) PAOXDNM1LTA4HDGKAALDH1A1
SCHEMBL9972626 0.85 FAAH (0.49) PAOXDNM1DGKATHRATHRB
SCHEMBL889250 0.85 DGKA (0.48) PAOXDNM1LTA4HDGKAALDH1A1
SCHEMBL889193 0.85 DNM1 (0.49) DNM1DGKAALDH1A1THRATHRB
SCHEMBL889304 0.84 ALDH1A1 (0.38) PAOXDNM1DGKAALDH1A1GLA

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 1247/4885DNM1 4279/4885LTA4H 253/4885

“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.