SCHEMBL5556504

SCHEMBL5556504

O=C(O)CCCCCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 6/20 0.57
▸ SSTR2 P30874 6/20 0.57
▸ SSTR4 P31391 6/20 0.57
▸ SSTR3 P32745 6/20 0.57
▸ SSTR5 P35346 6/20 0.57
▸ NT5E P21589 1/20 0.52
▸ PTPN1 P18031 8/20 0.52
▸ CDC25B P30305 7/20 0.52
▸ PTPN2 P17706 5/20 0.52
▸ PTPN11 Q06124 5/20 0.52
▸ PTPN6 P29350 4/20 0.52
▸ TACR1 P25103 2/20 0.51
▸ ADRB2 P07550 1/20 0.51

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
SCHEMBL8507196 1.00 SSTR1 (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6139789 1.00 SSTR1 (0.57) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL15444989 0.89 SSTR4 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7908620 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7908639 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6545135 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7908611 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7908607 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7908613 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6545131 0.88 SSTR1 (0.60) SSTR1SSTR2SSTR4SSTR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088558-B1 Galenic formulations comprising paramagnetic and diamagnetic compounds BAYER SCHERING PHARMA AG (DE) 2007-06-27 — — EP disclosed
US-20060093554-A1 Galenical formulations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-04 — — US disclosed
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 — — US disclosed
US-6818203-B2 COMPLEXES HAVE CRITICAL MICELLE FORMATION CONCENTRATION, HYDRODYNAMIC MICELLE DIAMETER, AND PROTON RELAXIVITY IN PLASMA CONTRAST MEDIA IN MR IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-16 — — US disclosed
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 — — EP disclosed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 — — US disclosed
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 — — WO disclosed
EP-1088558-A2 Galenic formulations SCHERING AKTIENGESELLSCHAFT (DE) 2001-04-04 — — EP 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 (3 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-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 SSTR1 236/4885SSTR2 788/4885SSTR4 767/4885
US-20050074409-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, MALT1 SSTR1 54/4885SSTR2 377/4885SSTR4 322/4885
US-20060093554-A1 Galenical formulations GALC, GALR2, GALR1 SSTR1 217/4885SSTR2 277/4885SSTR4 618/4885

“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.

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