SCHEMBL13262811

SCHEMBL13262811

CCC(C)(CC)CC(C)(C)C=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12204724 0.78 TSHR (0.33) TSHRTDP1
SCHEMBL19276727 0.77
SCHEMBL26173968 0.76
SCHEMBL123788 0.76
SCHEMBL23871114 0.74 MEN1 (0.31) TSHR
SCHEMBL3428853 0.74
SCHEMBL689684 0.73 MEN1 (0.31) TSHR
Propane SCHEMBL11380010 0.73 TDP1 (0.35) TSHRTDP1
SCHEMBL4780259 0.73
SCHEMBL5342295 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-20100166918-A1 NUTRACEUTICALS CONTAINING NITRO FATTY ACIDS COMPLEXA, INC. 2010-07-01 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-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton NSUN2, CTDSP1, RNGTT TSHR 3141/4885TDP1 864/4885

“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.