SCHEMBL16808779

SCHEMBL16808779

[SiH3]Cc1ccc(C2OCCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.30
HTT P42858 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
SCHEMBL9451016 0.81 MEN1 (0.44) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL18672255 0.78 IDO1 (0.39) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2202537 0.78 VHL (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2237097 0.78 TRPA1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL11941058 0.78 ALDH1A1 (0.43) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7473813 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL1680897 0.78 HRH3 (0.42) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL25383174 0.75 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL8803609 0.75 CA2 (0.45) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL8804519 0.75 TAAR1 (0.43) KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150165074-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2015-06-18 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-20150165074-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF TNNI3, FABP3, MPI CCNB2 3602/4885CDK1 2610/4885CCNB1 2547/4885

“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.