SCHEMBL1617634

SCHEMBL1617634

O=C1CCCCCC1c1cc(Cl)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
ADRA1B P35368 1/20 0.38
CNR1 P21554 1/20 0.38
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 2/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.37
PTGDR Q13258 3/20 0.37
PTGER2 P43116 1/20 0.37
TLR4 O00206 1/20 0.37
GAA P10253 1/20 0.36
AGTR1 P30556 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1617555 0.98 HTR1A (0.39) HTR1AADRA1BCNR1TSHRALOX15
SCHEMBL1617475 0.85 GAA (0.47) CNR1TSHRKMT2AMEN1PKM
SCHEMBL21451920 0.84 KMT2A (0.37) KMT2AMEN1PKMPTGDR2PTGDR
SCHEMBL27173411 0.83 OPRL1 (0.42) HTR1AKMT2AMEN1PTGDR2TLR4
SCHEMBL6568863 0.80 CA1 (0.43) TP53TLR4KDM4EMAPTHPGD
SCHEMBL22652048 0.80 CA1 (0.43) TP53TLR4KDM4EMAPTHPGD
SCHEMBL6570146 0.80 CA1 (0.43) TP53TLR4KDM4EMAPTHPGD
SCHEMBL19993831 0.79 OPRL1 (0.42) CNR1TSHRKMT2AMEN1PKM
SCHEMBL9649037 0.79 KMT2A (0.56) TSHRL3MBTL1KMT2AMEN1PKM
SCHEMBL4918535 0.79 TP53 (0.46) TSHRL3MBTL1KMT2AMEN1TP53

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 HTR1A 109/4885ADRA1B 183/4885CNR1 2694/4885

“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.