SCHEMBL217214

SCHEMBL217214

CCCCC(C)(C)OCC(C)C=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL215363 0.83 CTSK (0.36) CTSK
SCHEMBL10953079 0.80 TSHR (0.33) CTSKTSHR
SCHEMBL11145692 0.80 CTSK (0.33) CTSKTSHRSMN1; SMN2
SCHEMBL215483 0.78 CTSK (0.32) CTSK
SCHEMBL5820936 0.78 MAPK1 (0.30)
SCHEMBL215629 0.76
SCHEMBL27959577 0.76 MAPK1 (0.32)
SCHEMBL12038606 0.75 MAPK1 (0.50) CTSKTSHR
SCHEMBL5255518 0.75 MAPK1 (0.50) CTSKTSHR
SCHEMBL11864337 0.74 CTSK (0.33) CTSK

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-8088725-B2 Fragrance compositions and compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2012-01-03 US disclosed
US-20100132249-A1 Fragrance Compositions and Compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-06-03 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-20100132249-A1 Fragrance Compositions and Compounds H1-0, H1-10, H1-5 CTSK 4691/4885TSHR 3815/4885SMN1; SMN2 2987/4885

“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.