SCHEMBL3799786

SCHEMBL3799786

CC(C)C[Si](C)(C)OCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(CO[Si](C)(C)CC(C)C)cc3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
PDE4B Q07343 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
GSTP1 P09211 1/20 0.34
PTPN1 P18031 2/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL3796505 0.83 IDO1 (0.34) NAAAIDO1AGXTALDH1A1ESR1
SCHEMBL3799785 0.78 PREP (0.43) NAAAIDO1AGXTPDE4BGSTP1
SCHEMBL13191568 0.75 PDE4B (0.48) IDO1AGXTPDE4BMITFALDH1A1
SCHEMBL13191514 0.75 PDE4B (0.48) IDO1AGXTPDE4BMITFALDH1A1
SCHEMBL3799750 0.74 CRHBP (0.35) NAAA
SCHEMBL9902946 0.73 RXRA (0.49) ALDH1A1
SCHEMBL13170495 0.69 EGFR (0.58) PDE4BMITFALDH1A1MAPTHTT
SCHEMBL9956595 0.68 POLB (0.32) ALDH1A1
SCHEMBL863464 0.68 MAPT (0.35) MAPTHTT
SCHEMBL20160837 0.68 PDE4B (0.52) PDE4BMITFALDH1A1MAPTHTT

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-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 US disclosed
WO-2008048227-A2 SYNTHETIC CARBON NANOTUBES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-04-24 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-20100222432-A1 Synthetic Carbon Nanotubes CYCS, CHN2, TUBA3C NAAA 3128/4885IDO1 4008/4885AGXT 3526/4885

“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.