SCHEMBL16809121

SCHEMBL16809121

COC(OC(=O)OC(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL16809123 0.85 SMN1; SMN2 (0.37) TSHRSMN1; SMN2
SCHEMBL16805834 0.81 TSHR (0.40) TSHRHCAR2
SCHEMBL7602354 0.79 TSHR (0.56) TSHRHCAR2SMN1; SMN2
SCHEMBL5987269 0.79 TSHR (0.56) TSHRHCAR2SMN1; SMN2
SCHEMBL5987800 0.79 TSHR (0.56) TSHRHCAR2SMN1; SMN2
SCHEMBL36670 0.79 TSHR (0.59) TSHRHCAR2
Ammonia Solution, Strong SCHEMBL16191762 0.76 TSHR (0.56) TSHRHCAR2
SCHEMBL6726188 0.76 TSHR (0.56) TSHRHCAR2
SCHEMBL6729295 0.76 TSHR (0.56) TSHRHCAR2
Hydrochloric Acid SCHEMBL15092480 0.76 TSHR (0.56) TSHRHCAR2

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 TSHR 2027/4885HCAR2 3214/4885SMN1; SMN2 2816/4885

“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.