SCHEMBL3147947

SCHEMBL3147947

COCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.48
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17039691 0.93 TDP1 (0.59) TDP1TSHRCYP3A4CA1CA2
SCHEMBL21293834 0.88 TDP1 (0.51) TDP1CYP3A4CA1CA2CA12
SCHEMBL9063285 0.88 TDP1 (0.51) TDP1CYP3A4CA1CA2CA12
SCHEMBL18876584 0.88 TDP1 (0.51) TDP1CYP3A4CA1CA2CA12
SCHEMBL18874911 0.88 TDP1 (0.54) TDP1CYP3A4CA1CA2CA12
SCHEMBL23475931 0.86 FAAH (0.49) TDP1CYP3A4CA1CA2CA12
SCHEMBL32680127 0.86 FAAH (0.49) TDP1CYP3A4CA1CA2CA12
SCHEMBL14117979 0.86 TSHR (0.47) TSHRCYP3A4HPGDHTTSMN1; SMN2
SCHEMBL31225932 0.86 TDP1 (0.63) TDP1CYP3A4CA1CA2CA12
SCHEMBL23475914 0.86 FAAH (0.49) TDP1CYP3A4CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806350-B1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INT BV (NL) 2010-01-06 EP disclosed
EP-1806350-A2 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO International B.V. (NL) 2007-07-11 EP disclosed
US-6652834-B2 Tensioactive properties, long lasting activity in the blood pool BRACCO INTERNATIONAL B.V. (NL) 2003-11-25 US disclosed
US-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INTERNATIONAL B.V. 2002-07-25 US disclosed
US-6342598-B1 BLOOD-POOL CONTRAST AGENTS OF OUTSTANDING LONG LIFE IN CIRCULATION BRACCO INTERNATIONAL B.V. (NL) 2002-01-29 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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM TDP1 3409/4885TSHR 1563/4885CYP3A4 4438/4885

“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.