SCHEMBL16809083

SCHEMBL16809083

CCC(OC)OC(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE4B Q07343 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16706074 0.81 CHRNB2 (0.31)
SCHEMBL16805846 0.81 MAPT (0.36) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL11184911 0.77 ALDH1A1 (0.30) MAPTALDH1A1
SCHEMBL5370039 0.75 ACACB (0.36) GAAMAPT
SCHEMBL29047966 0.75 TSHR (0.39) GAAMAPTKDM4EALDH1A1
SCHEMBL10321962 0.75 ACACB (0.36) GAAMAPT
SCHEMBL2986183 0.75 ACACB (0.36) GAAMAPT
SCHEMBL2990263 0.75 ACACB (0.36) GAAMAPT
SCHEMBL7157006 0.74 MEN1 (0.36) ALDH1A1
SCHEMBL1469412 0.73 CA1 (0.35) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166520-A1 AMIDO-SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2015-06-18 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-20150166520-A1 AMIDO-SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF HIV INFECTION ARG1, ASS1, ARG2 GAA 2658/4885MAPT 3109/4885MAPK1 3030/4885

“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.