SCHEMBL1617064

SCHEMBL1617064

O=C1CCCCC1c1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.32
SLC18A3 Q16572 1/20 0.31
MAPT P10636 1/20 0.31
HCAR1 Q9BXC0 2/20 0.31
PGR P06401 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
SCHEMBL512127 0.94 TLR4 (0.34) TLR4
SCHEMBL1617559 0.83 TLR4 (0.42) TLR4CA1CA2CA4KMT2A
SCHEMBL27173391 0.82 TLR4 (0.39) TLR4PGR
SCHEMBL1138835 0.78 SLC6A2 (0.41) TLR4CA1CA2CA4
SCHEMBL19993842 0.78 SLC6A2 (0.40) TLR4
SCHEMBL21451943 0.77 TLR4 (0.41) TLR4CA1CA2CA4KMT2A
SCHEMBL511549 0.77 CYP19A1 (0.38) TLR4CA1CA2CA4
SCHEMBL512116 0.76 CYP17A1 (0.40)
SCHEMBL21451930 0.76 KDM1A (0.48) TLR4
SCHEMBL5562560 0.76 CA1 (0.42) TLR4CA1CA2CA4KMT2A

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 TLR4 4827/4885CA1 3510/4885CA2 3929/4885

“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.