SCHEMBL3153992

SCHEMBL3153992

COCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOC)CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLP1R P43220 8/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL5547592 0.90 BLM (0.50) TSHRBLMPMP22HSD17B10CA1
SCHEMBL3153101 0.88 DNM1 (0.49) BLMPMP22HSD17B10GLP1REPHX2
SCHEMBL1419802 0.85 EPHX1 (0.43) TSHRGLP1REPHX2
SCHEMBL3152537 0.83 CA1 (0.39) TSHRBLMPMP22HSD17B10CA1
SCHEMBL8103783 0.82 TDP1 (0.50) TSHRHPGDBLMPMP22HSD17B10
Versetamide SCHEMBL2109367 0.82 TDP1 (0.50) TSHRHPGDBLMPMP22HSD17B10
SCHEMBL13934645 0.81 DNM1 (0.42) BLMPMP22HSD17B10GLP1RCA1
SCHEMBL14520967 0.81 CA1 (0.46) BLMPMP22HSD17B10CA1CA2
SCHEMBL18923938 0.81 TSHR (0.56) TSHRHPGDHTTSMN1; SMN2MEN1
SCHEMBL18923980 0.81 TSHR (0.56) TSHRHPGDHTTSMN1; SMN2MEN1

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 TSHR 1563/4885HPGD 1619/4885HTT 762/4885

“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.