SCHEMBL3842212

SCHEMBL3842212

C=CCN(CCCO[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.33
DUT P33316 1/20 0.32
DPP4 P27487 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20336491 0.91 ALDH1A1 (0.33) ALDH1A1KDM4EDPP4
SCHEMBL4508273 0.85 CA14 (0.36) ALDH1A1
SCHEMBL23795394 0.76 DUT (0.31) DUT
SCHEMBL17363339 0.76 CA14 (0.33) ALDH1A1DPP4
SCHEMBL2880215 0.75 DUT (0.35) ALDH1A1KDM4EDUT
SCHEMBL2880342 0.74 DUT (0.35) DUT
SCHEMBL2516385 0.74 DUT (0.35) DUT
SCHEMBL3756533 0.72 DUT (0.35) DUT
SCHEMBL2044848 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EDPP4
SCHEMBL20661642 0.71 TSHR (0.53) ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185512-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2018-07-05 US disclosed
WO-2014124329-A1 NANOPARTICLES FOR DRUG DELIVERY UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-08-14 WO disclosed
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP disclosed
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use ASTRAZENECA AB (SE) 2009-06-04 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20060293337-A1 P2x7 receptor antagonists and their use ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP disclosed
EP-1633717-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE AstraZeneca AB (SE) 2006-03-15 EP disclosed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 WO disclosed
WO-2004106305-A1 NEW P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2004-12-09 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 (4 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-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 ALDH1A1 985/4885KDM4E 1175/4885DUT 1485/4885
US-20060293337-A1 P2x7 receptor antagonists and their use P2RX7, P2RX1, P2RX2 ALDH1A1 1580/4885KDM4E 3521/4885DUT 2520/4885
US-20090143354-A1 P2X7 Receptor Antagonists and Their Use P2RX7, P2RX1, P2RX2 ALDH1A1 1580/4885KDM4E 3521/4885DUT 2520/4885
US-20180185512-A1 NANOPARTICLES FOR DRUG DELIVERY NCL, NPC1, SNX9 ALDH1A1 1563/4885KDM4E 3749/4885DUT 393/4885

“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.