SCHEMBL6798544

SCHEMBL6798544

CC(C)CCCCC1(C(=O)O)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.45
CYP2C19 P33261 1/20 0.42
TBXAS1 P24557 2/20 0.42
CYP4F2 P78329 6/20 0.41
CYP4A11 Q02928 6/20 0.41
BLM P54132 1/20 0.40
MME P08473 1/20 0.37
CPB2 Q96IY4 1/20 0.36
KDM4C Q9H3R0 2/20 0.33
CDC25A P30304 1/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 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
SCHEMBL2917413 0.96 TBXAS1 (0.47) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL31157063 0.91 BLM (0.41) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL31157064 0.91 BLM (0.41) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL31157050 0.91 BLM (0.41) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL31157055 0.91 BLM (0.41) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL30959045 0.91 BLM (0.41) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL5520693 0.85 CYP2C19 (0.50) CETPCYP2C19TBXAS1CYP4F2CYP4A11
SCHEMBL9181319 0.84 CYP2C19 (0.56) CYP2C19TBXAS1CYP4F2CYP4A11MME
SCHEMBL186819 0.83 CYP2C19 (0.44) CYP2C19TBXAS1CYP4F2CYP4A11MME
SCHEMBL9182839 0.82 CYP2C19 (0.60) CETPCYP2C19TBXAS1CYP4F2CYP4A11

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
US-6713476-B2 SUBSTITUTED LACTAM; GAMMA-SECRETASE INHIBITOR; DECREASES PRODUCTION OF BETA-AMYLOID; TREATMENT FOR ALTZHEIMER'S AND DOWN'S SYNDROME DUPONT PHARMACEUTICALS COMPANY 2004-03-30 US disclosed
CN-1434803-A Cyclic lactams as inhibitors os A-alpha protein production BRISTOL MYERS SQUIBB CO (US) 2003-08-06 CN disclosed
EP-1268434-A1 CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
US-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 US disclosed
WO-2001074784-A1 CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION DUPONT PHARMACEUTICALS COMPANY (US) 2001-10-11 WO 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-20020061874-A1 Substituted cycloalkyls as inhibitors of a beta protein production APP, BACE1, APH1A CETP 563/4885CYP2C19 1748/4885TBXAS1 1258/4885

“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.