SCHEMBL4455872

SCHEMBL4455872

OCCOCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
HRH4 Q9H3N8 1/20 0.43
TK2 O00142 11/20 0.43
TK1 P04183 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
DUT P33316 1/20 0.38
SLC6A1 P30531 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4008570 0.95 KIF11 (0.52) KIF11HRH4TK2TK1MEN1
SCHEMBL18095444 0.88 KIF11 (0.49) KIF11HRH4TK2TK1MEN1
SCHEMBL2821674 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL3190599 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL26176911 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL24207815 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL3485522 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL4454711 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL24207971 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1
SCHEMBL26176881 0.87 KIF11 (0.55) KIF11HRH4TK2TK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598421-B2 Materials for the delivery of biologically-active material to cells UCL BIOMEDICA PLC (GB) 2009-10-06 US disclosed
US-20050245446-A1 Materials for the delivery of biologically-active material to cells NANOGENICS LIMITED (GB) 2005-11-03 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-20050245446-A1 Materials for the delivery of biologically-active material to cells ITGB1, ITGA2B, ITGB2 KIF11 2529/4885HRH4 3894/4885TK2 1292/4885

“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.