SCHEMBL1616197

SCHEMBL1616197

COC(=O)C1CCCC/C(=C/N(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
CREBBP Q92793 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL1616198 1.00 MAPT (0.41) MAPTGAANPSR1MAPK1HSD17B10
SCHEMBL23276726 0.95 MAPT (0.42) MAPTGAANPSR1MAPK1HSD17B10
SCHEMBL23276727 0.95 MAPT (0.42) MAPTGAANPSR1MAPK1HSD17B10
SCHEMBL23276878 0.89 MAPT (0.43) MAPTGAANPSR1KDM4ECYP2C9
SCHEMBL23276877 0.89 MAPT (0.43) MAPTGAANPSR1KDM4ECYP2C9
SCHEMBL1616945 0.80 ALDH1A1 (0.40) MAPTGAANPSR1HSD17B10KDM4E
SCHEMBL1616943 0.80 ALDH1A1 (0.40) MAPTGAANPSR1HSD17B10KDM4E
SCHEMBL3662314 0.79 TLR4 (0.39) MAPTGAANPSR1MAPK1HSD17B10
SCHEMBL5864679 0.76 MAPK1 (0.41) MAPK1HSD17B10KDM4EHTTTSHR
SCHEMBL23276783 0.75 MAPT (0.42) MAPTGAANPSR1MAPK1MEN1

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 MAPT 26/4885GAA 962/4885NPSR1 863/4885

“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.