SCHEMBL1616945

SCHEMBL1616945

CCOC(=O)C1CCCC(=CN(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
MAPT P10636 8/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 1/20 0.40
TLR4 O00206 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.35
ESR1 P03372 1/20 0.35
TSHR P16473 1/20 0.35
NR4A1 P22736 1/20 0.35
RECQL P46063 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
SCHEMBL1616943 1.00 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3662314 0.93 TLR4 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1616228 0.92 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1616229 0.92 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL23276726 0.84 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL23276727 0.84 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1616197 0.80 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1616198 0.80 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1616161 0.78 MAPT (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14173702 0.77 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 ALDH1A1 3574/4885MAPT 26/4885MEN1 1754/4885

“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.