SCHEMBL5380269

SCHEMBL5380269

C=CCC1C(=O)CC(=O)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.31
PRSS1 P07477 2/20 0.30
CTRC Q99895 2/20 0.30
F2 P00734 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 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
SCHEMBL13859055 0.81 MAPT (0.33) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL5911742 0.74 MAPT (0.31) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL28327785 0.70 MAPT (0.32) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL14501295 0.69 BRD4 (0.36) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL14501346 0.69 GAA (0.38) ALDH1A1PRSS1F2POLB
SCHEMBL2880175 0.67 MAPT (0.33) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL14879881 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19283814 0.66 MAPT (0.32) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL5911724 0.66 MAPT (0.32) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL10385807 0.66 CYP19A1 (0.33) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223795-B2 Modified peptide derivatives and methods of use thereof CYCLACEL LIMITED (GB) 2007-05-29 US disclosed
EP-1343754-B1 CYCLOPHILIN-BINDING LIGANDS CYCLACEL LTD (GB) 2005-07-13 EP disclosed
US-20040077829-A1 Modified peptide derivatives and methods of use thereof CYCLACEL LIMITED (GB) 2004-04-22 US disclosed
EP-1343754-A2 CYCLOPHILIN-BINDING LIGANDS Cyclacel Limited (GB) 2003-09-17 EP disclosed
WO-2002048178-A2 CYCLOPHILIN-BINDING LIGANDS CYCLACEL LIMITED (GB) 2002-06-20 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 (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-20040077829-A1 Modified peptide derivatives and methods of use thereof NGLY1, NPY1R, NPY2R ALDH1A1 3858/4885MAPT 4827/4885PRSS1 3391/4885

“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.