SCHEMBL5557567

SCHEMBL5557567

CC(C)(C)OC(=O)C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
SLC22A2 O15244 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
MAPT P10636 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL26029101 0.81 DPP4 (0.44) MEN1KMT2AMAPK1EPHX2ALDH1A1
SCHEMBL8105673 0.79 ALDH1A1 (0.51) MEN1KMT2AEPHX2ALDH1A1NPC1
SCHEMBL27634517 0.71 CYP19A1 (0.43) MEN1KMT2AMAPK1EPHX2ALDH1A1
SCHEMBL5399501 0.71 LMNA (0.42) MEN1KMT2AMAPK1EPHX2ALDH1A1
SCHEMBL5671926 0.71 ALDH1A1 (0.47) MEN1KMT2AEPHX2ALDH1A1MAPT
SCHEMBL3292905 0.70 ALDH1A1 (0.42) MEN1KMT2AEPHX2ALDH1A1NPC1
SCHEMBL131064 0.69 CYP17A1 (0.55) MEN1KMT2AMAPK1EPHX2ALDH1A1
SCHEMBL17226195 0.69 MEN1 (0.38) MEN1KMT2AMAPK1EPHX2ALDH1A1
SCHEMBL27978333 0.69 KMT2A (0.48) MEN1KMT2AMAPK1EPHX2ALDH1A1
SCHEMBL15535916 0.69 KMT2A (0.48) MEN1KMT2AMAPK1EPHX2ALDH1A1

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 7 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-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 (2 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 MEN1 398/4885KMT2A 4662/4885MAPK1 1517/4885
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 MEN1 242/4885KMT2A 4638/4885MAPK1 1210/4885

“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.