SCHEMBL889250

SCHEMBL889250

CCCOC(=O)CCNCCCNCCC(=O)OCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
LTA4H P09960 4/20 0.47
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
TOP2A P11388 2/20 0.43
EPHX2 P34913 1/20 0.41
DNM1 Q05193 1/20 0.41
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.39
LMNA P02545 1/20 0.39
PAOX Q6QHF9 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL889258 0.94 DGKA (0.52) DGKALTA4HALDH1A1GLATOP2A
SCHEMBL889155 0.90 ALDH1A1 (0.45) DGKALTA4HALDH1A1GLATOP2A
SCHEMBL11231987 0.89 DGKA (0.46) DGKALTA4HALDH1A1GLATOP2A
SCHEMBL12792366 0.87 NAAA (0.58) DGKALTA4HEPHX2DNM1HTR2C
SCHEMBL12792450 0.87 NAAA (0.58) DGKALTA4HEPHX2DNM1HTR2C
SCHEMBL889256 0.87 NAAA (0.58) DGKALTA4HEPHX2DNM1HTR2C
SCHEMBL11386401 0.87 DGKA (0.44) DGKALTA4HALDH1A1GLATOP2A
SCHEMBL10351184 0.86 DGKA (0.52) DGKALTA4HALDH1A1DNM1HTR2C
SCHEMBL13659026 0.86 DGKA (0.55) DGKALTA4HALDH1A1EPHX2DNM1
SCHEMBL8851411 0.86 ALDH1A1 (0.45) DGKALTA4HALDH1A1GLATOP2A

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 DGKA 1291/4885LTA4H 253/4885ALDH1A1 2506/4885

“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.