SCHEMBL5548973

SCHEMBL5548973

CCCCCCCCCCCCCCCCC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.53
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 2/20 0.51
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
S1PR1 P21453 1/20 0.47
FAAH O00519 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER2 P43116 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
SCHEMBL8482310 0.84 ALDH1A1 (0.45) GPR84FFAR1FFAR4ALDH1A1L3MBTL1
SCHEMBL24210255 0.83 S1PR1 (0.48) GPR84FFAR1FFAR4S1PR1
SCHEMBL12643941 0.80 S1PR1 (0.46) GPR84FFAR1FFAR4S1PR1
SCHEMBL20281030 0.80 SLC18A3 (0.45) ALDH1A1L3MBTL1S1PR1KDM4EUSP2
SCHEMBL29757428 0.79 ALDH1A1 (0.45) GPR84FFAR1FFAR4ALDH1A1L3MBTL1
SCHEMBL11530689 0.79 ALDH1A1 (0.45) GPR84FFAR1FFAR4ALDH1A1L3MBTL1
SCHEMBL9643851 0.79 MEN1 (0.50) L3MBTL1USP2
Glycine SCHEMBL9816917 0.79 USP2 (0.47) GPR84FFAR1FFAR4ALDH1A1L3MBTL1
SCHEMBL19861424 0.78 ALDH1A1 (0.56) GPR84FFAR1FFAR4ALDH1A1L3MBTL1
SCHEMBL8485649 0.77 PER2 (0.40) ALDH1A1S1PR1KDM4EUSP2ALOX15

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-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 GPR84 3952/4885FFAR1 1888/4885FFAR4 2392/4885

“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.