SCHEMBL5555285

SCHEMBL5555285

CCOC(=O)C(C)N(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CTSL P07711 1/20 0.31
CTSK P43235 1/20 0.30
NR1D1 P20393 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL5551672 0.83 CYP2D6 (0.35) CYP2C19CYP2D6CA12CA1CA2
SCHEMBL19661282 0.81 CA1 (0.44) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL8777319 0.79 TDP1 (0.41) CYP2C19CYP2D6CA1CA2
SCHEMBL8719360 0.78 CASR (0.30) CYP2D6NR1D1
SCHEMBL19458 0.77 TDP1 (0.42) CYP2C19SMN1; SMN2CYP2D6CA12CA1
SCHEMBL18362421 0.76 CA12 (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7567960 0.74 CHRM2 (0.37) CYP2C19SMN1; SMN2CA12CA1CA7
SCHEMBL25453034 0.73 CYP2D6 (0.33) CYP2D6CA12CA1CA7CA14
SCHEMBL23711054 0.73 CA12 (0.36) CYP2C19CYP2D6CA12CA1CA7
SCHEMBL7662090 0.73 CTSS (0.33) CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211241-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-01 US disclosed
US-6861043-B2 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2005-03-01 US disclosed
US-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes SCHERING AG (DE) 2002-12-12 US disclosed
EP-0836485-B1 CASCADE POLYMER COMPLEXES SCHERING AG (DE) 2002-07-24 EP disclosed
US-6177060-B1 NMR OR X-RAY LYMPHOGRAPHY IMAGES SCHERING AKTIENGESEUSCHAFT (DE) 2001-01-23 US disclosed
US-6063361-A ADMINISTERING TO A PATIENT AT LEAST ONE CASCADE POLYMER COMPLEX AND SUBJECTING THE PATIENT TO A RADIOLOGY DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-5820849-A DIAGNOSIS WITH NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
EP-0836485-A2 CASCADE POLYMER COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed
WO-1997002051-A2 CASCADE POLYMER COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-23 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 (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-20040091426-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes ZYX, CCNY, MOK CYP1A2 3235/4885CYP2C9 3418/4885CYP2C19 3095/4885
US-20020187101-A1 Cascade polymer complexes, process for their production and pharmaceutical agents containing said complexes TFPI, LYN, SYK CYP1A2 3599/4885CYP2C9 1881/4885CYP2C19 2300/4885

“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.