SCHEMBL5493635

SCHEMBL5493635

O=C(O)CC1(CC(=O)NC2(C(=O)NCCCCNc3ncccn3)Cc3ccccc3C2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 2/20 0.36
PROC P04070 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5492981 0.99 GAA (0.48) GAAALDH1A1KDM4EHPGDUSP2
SCHEMBL5495127 0.80 PROC (0.38) HPGDF2PROC
SCHEMBL5494526 0.75 GAA (0.46) GAAALDH1A1KDM4EHPGDUSP2
SCHEMBL5492106 0.75 GAA (0.46) GAAALDH1A1KDM4EHPGDUSP2
SCHEMBL5491007 0.74 GAA (0.45) GAAALDH1A1KDM4EMAPT
SCHEMBL5494642 0.74 GAA (0.45) GAAALDH1A1KDM4EMAPT
SCHEMBL5504726 0.72 MEN1 (0.41) ALDH1A1HPGDF2PROCKMT2A
SCHEMBL5495671 0.72 MEN1 (0.41) ALDH1A1HPGDF2PROCKMT2A
SCHEMBL14598341 0.72 HPGD (0.41) ALDH1A1HPGD
SCHEMBL5496533 0.68 IL23R (0.40) ALDH1A1HPGDF2PROCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 GAA 1315/4885ALDH1A1 4076/4885KDM4E 4465/4885

“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.