SCHEMBL1617016

SCHEMBL1617016

Cc1ccc(C)c(C2CCCC(Br)C2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PBRM1 Q86U86 1/20 0.32
MEN1 O00255 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
GRM7 Q14831 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3662535 0.91 MAOA (0.33) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL30496227 0.74 NPC1 (0.38) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1617366 0.74 NPC1 (0.38) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1616148 0.73 SIRT2 (0.40) NPC1
SCHEMBL11216362 0.72 NOS3 (0.46) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1616175 0.70 PDE3B (0.34)
SCHEMBL11216721 0.69 NOS3 (0.43) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1616192 0.69 KMT2A (0.42) KMT2ANPC1NOS3NOS1NOS2
SCHEMBL1617043 0.69 GAA (0.42) ALDH1A1TP53TSHRNPSR1GAA
SCHEMBL1615843 0.69 HTR1A (0.38) HSD17B10ALDH1A1CYP1A2NOS3NOS1

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 KMT2A 2297/4885KDM4E 4361/4885HSD17B10 1059/4885

“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.