SCHEMBL5548993

SCHEMBL5548993

CCCCCCCCCCCCCCCCN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.54
GNAI3 P08754 3/20 0.53
GNAO1 P09471 3/20 0.53
GNAI1 P63096 3/20 0.53
KCNH2 Q12809 1/20 0.48
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
PAOX Q6QHF9 1/20 0.46
BCHE P06276 1/20 0.44
CHRM3 P20309 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL14330061 1.00 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL9661728 1.00 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL5543885 1.00 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL5848033 0.98 S1PR1 (0.51) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL23105622 0.92 S1PR1 (0.49) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL5518956 0.85 GPR84 (0.54) GNAI3GNAO1GNAI1PAOXGPR84
SCHEMBL27628951 0.85 GPR84 (0.65) PAOXGPR84PPARGPPARDPPARA
SCHEMBL15499754 0.84 HSD17B10 (0.48) S1PR1
SCHEMBL15499048 0.84 HSD17B10 (0.48) S1PR1
SCHEMBL10060138 0.84 HSD17B10 (0.48) S1PR1

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 S1PR1 2005/4885GNAI3 2183/4885GNAO1 3172/4885

“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.