SCHEMBL5548977

SCHEMBL5548977

CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.55
LPAR3 Q9UBY5 7/20 0.55
CES2 O00748 2/20 0.52
LPAR2 Q9HBW0 4/20 0.51
PLA2G2C Q5R387 2/20 0.50
USP2 O75604 1/20 0.49
TLR2 O60603 3/20 0.48
HTT P42858 1/20 0.47
LPAR5 Q9H1C0 4/20 0.45
LPAR6 P43657 3/20 0.45
LPAR4 Q99677 3/20 0.45
PAM P19021 2/20 0.44

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
SCHEMBL9479107 0.95 LPAR1 (0.51) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL9479138 0.95 LPAR1 (0.51) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL570522 0.95 LPAR1 (0.51) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL8373393 0.95 LPAR1 (0.51) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL9479464 0.95 LPAR1 (0.51) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL12341018 0.95 LPAR1 (0.51) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL9162390 0.92 USP2 (0.53) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL9478114 0.89 LPAR1 (0.46) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL9478355 0.89 LPAR1 (0.46) LPAR1LPAR3CES2LPAR2PLA2G2C
SCHEMBL9480222 0.89 LPAR1 (0.46) LPAR1LPAR3CES2LPAR2PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1153029-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2001-11-14 EP disclosed
WO-2000030688-A2 AMPHIPATIC POLYCARBOXYLIC CHELATES AND COMPLEXES WITH PARAMAGNETIC METALS AS MRI CONTRAST AGENTS BRACCO INTERNATIONAL B.V. (NL) 2000-06-02 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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM LPAR1 1795/4885LPAR3 970/4885CES2 3823/4885

“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.