SCHEMBL1615804

SCHEMBL1615804

O=C1CCCCC1c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
KDM1A O60341 2/20 0.42
KDM1B Q8NB78 1/20 0.42
TLR4 O00206 1/20 0.38
HCAR2 Q8TDS4 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
GRM5 P41594 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL21451920 0.85 KMT2A (0.37) MEN1KMT2ANPC1TLR4PTGDR2
SCHEMBL27173411 0.84 OPRL1 (0.42) MEN1KMT2ANPC1TLR4PTGDR2
SCHEMBL360459 0.81 TP53 (0.42) MEN1KMT2ANPC1TLR4HTR2A
SCHEMBL19993853 0.81 HTR2A (0.40) NPC1TLR4HTR2AHTR2CCA1
SCHEMBL21451943 0.80 TLR4 (0.41) MEN1KMT2ANPC1TLR4HCAR2
SCHEMBL21452532 0.80 AR (0.39) TLR4
SCHEMBL10356725 0.79 KDM4E (0.45) MEN1KMT2ANPC1KDM1AKDM1B
SCHEMBL16931391 0.79 KMT2A (0.43) MEN1KMT2ANPC1KDM1AKDM1B
SCHEMBL21451921 0.78 HCRTR1 (0.39)
SCHEMBL19993831 0.78 OPRL1 (0.42) MEN1KMT2ATLR4HTR2AHTR2C

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 MEN1 1754/4885KMT2A 2297/4885NPC1 1000/4885

“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.