SCHEMBL3799785

SCHEMBL3799785

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.43
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
NAAA Q02083 3/20 0.37
PDE4B Q07343 1/20 0.37
PTGS2 P35354 1/20 0.36
GSTP1 P09211 1/20 0.35
TACR1 P25103 1/20 0.35
DUT P33316 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL3796502 0.82 IDO1 (0.39) PREPIDO1AGXTNAAAPTGS2
SCHEMBL3799787 0.81 BACE1 (0.42) PREPPDE4BPTGS2TACR1
SCHEMBL1315036 0.79 IDO1 (0.46) IDO1AGXT
SCHEMBL3799786 0.78 NAAA (0.36) IDO1AGXTNAAAPDE4BGSTP1
SCHEMBL13191568 0.77 PDE4B (0.48) PREPIDO1AGXTPDE4BPTGS2
SCHEMBL13191514 0.77 PDE4B (0.48) PREPIDO1AGXTPDE4BPTGS2
SCHEMBL2367765 0.74 AGXT (0.42) IDO1AGXTTACR1
SCHEMBL22227467 0.74 BRS3 (0.49)
SCHEMBL6577315 0.73 PREP (0.33) PREPIDO1AGXTDUT
SCHEMBL3012099 0.73 CYP3A4 (0.50) IDO1

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 PREP 4609/4885IDO1 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.