SCHEMBL1563330

SCHEMBL1563330

CCCCCCCC(C)(CCCCCCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GGPS1 O95749 6/20 0.37
SMPD1 P17405 4/20 0.36
FDPS P14324 9/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL6064783 1.00 TSHR (0.40) TSHRTHRBGGPS1SMPD1FDPS
Ether SCHEMBL3217002 0.93 TSHR (0.35) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL5965448 0.89 DNM1 (0.46) TSHRTHRBSMPD1FDPSMEN1
SCHEMBL14902960 0.83 THRB (0.38) TSHRTHRBGGPS1MEN1MAPT
SCHEMBL28255184 0.81 SMPD1 (0.42) GGPS1SMPD1FDPSMEN1MAPT
SCHEMBL13620249 0.81 SMPD1 (0.42) GGPS1SMPD1FDPSMEN1MAPT
SCHEMBL27891743 0.81 SMPD1 (0.42) GGPS1SMPD1FDPSMEN1MAPT
SCHEMBL7806975 0.80 TDP1 (0.47) TSHRMEN1KMT2A
SCHEMBL10885977 0.80 MEN1 (0.41) GGPS1SMPD1FDPSMEN1MAPT
SCHEMBL22903085 0.80 TSHR (0.40) TSHRTHRBGGPS1SMPD1FDPS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 TSHR 1637/4885THRB 2448/4885GGPS1 1550/4885

“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.