SCHEMBL3149173

SCHEMBL3149173

COCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
SLC6A5 Q9Y345 2/20 0.48
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.43
DDAH1 O94760 1/20 0.42
ENPP2 Q13822 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PAOX Q6QHF9 2/20 0.40
RECQL P46063 1/20 0.40
EPHX2 P34913 2/20 0.39
FAAH O00519 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL26349750 0.92 TSHR (0.60) TSHRHPGDSMN1; SMN2HTTSLC6A5
SCHEMBL26742630 0.90 TSHR (0.59) TSHRHPGDSMN1; SMN2HTTSLC6A5
SCHEMBL17039698 0.90 SLC6A5 (0.51) TSHRHPGDSMN1; SMN2HTTSLC6A5
SCHEMBL25108979 0.89 TSHR (0.62) TSHRHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL25108952 0.89 TSHR (0.62) TSHRHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL25108941 0.89 TSHR (0.62) TSHRHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL4828890 0.87 TSHR (0.71) TSHRHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL18900906 0.86 TSHR (0.45) TSHRHPGDSMN1; SMN2HTTSLC6A5
SCHEMBL24950256 0.86 CNR1 (0.57) TSHRHPGDSMN1; SMN2HTTCNR1
SCHEMBL13566316 0.86 CNR1 (0.57) TSHRHPGDSMN1; SMN2HTTCNR1

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 1619/4885SMN1; SMN2 2228/4885

“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.