SCHEMBL5267079

SCHEMBL5267079

CCCCCCCCCCCCCCCC(=O)OCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
TDP1 Q9NUW8 1/20 0.50
DNM1 Q05193 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
EPHX2 P34913 1/20 0.46
ACHE P22303 7/20 0.45
PAM P19021 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL31284031 0.92 CA12 (0.59) DGKATDP1CA12CA1CA2
SCHEMBL13019153 0.88 CA12 (0.55) DGKATDP1CA12CA1CA2
SCHEMBL31065300 0.88 CA12 (0.55) DGKATDP1CA12CA1CA2
SCHEMBL19227176 0.87 DGKA (0.53) DGKADNM1EPHX2ACHEPAM
SCHEMBL15613905 0.87 CA12 (0.54) DGKATDP1CA12CA1CA2
SCHEMBL20589930 0.85 CA12 (0.59) TDP1CA12CA1CA2CA9
SCHEMBL28969493 0.85 CA12 (0.55) DGKATDP1CA12CA1CA2
SCHEMBL12999572 0.85 CA12 (0.51) DGKATDP1CA12CA1CA2
SCHEMBL15015919 0.85 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL3312317 0.85 TDP1 (0.49) TDP1CA12CA1CA2CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073473-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-10-17 EP disclosed
US-20040146462-A1 Ultrasonic visualisation of perfusion in the myocardium and other tissues is performed using novel gas-containing contrast agent preparations which promote controllable and temporary growth of the gas phase in vivo following administration GE HEALTHCARE AS (NO) 2004-07-29 US disclosed
EP-1073473-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS Marsden, John Christopher (GB) 2001-02-07 EP disclosed
WO-1999053963-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1999-10-28 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-20040146462-A1 Ultrasonic visualisation of perfusion in the myocardium and other tissues is performed using novel gas-containing contrast agent preparations which promote controllable and temporary growth of the gas phase in vivo following administration TNNC1, TNNI3, FABP3 DGKA 34/4885TDP1 3731/4885DNM1 3277/4885

“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.