SCHEMBL889193

SCHEMBL889193

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.49
DGKA P23743 1/20 0.48
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL889147 0.94 DGKA (0.52) DNM1DGKATHRATHRBHTR2C
SCHEMBL12120246 0.94 DNM1 (0.48) DNM1DGKATHRATHRBHTR2C
SCHEMBL17426970 0.93 DNM1 (0.44) DNM1DGKATHRATHRBHTR2C
SCHEMBL17426965 0.93 DNM1 (0.56) DNM1DGKATHRATHRBHTR2C
SCHEMBL889222 0.92 DNM1 (0.47) DNM1DGKATHRATHRBHTR2C
SCHEMBL889158 0.90 DNM1 (0.46) DNM1DGKATHRATHRBHTR2C
SCHEMBL12009423 0.89 DNM1 (0.44) DNM1DGKATHRATHRBHTR2C
SCHEMBL12792363 0.87 NAAA (0.58) DNM1DGKATHRATHRBHTR2C
SCHEMBL889262 0.87 NAAA (0.58) DNM1DGKATHRATHRBHTR2C
SCHEMBL12792293 0.87 NAAA (0.58) DNM1DGKATHRATHRBHTR2C

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 DNM1 4279/4885DGKA 1291/4885THRA 3682/4885

“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.