SCHEMBL17449769

SCHEMBL17449769

C=C(C)C(C)C(C)(C)C(C)(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TET2 Q6N021 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
SCHEMBL17449770 0.77 TET2 (0.31) TET2
SCHEMBL803775 0.72 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL10955658 0.69 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL23869450 0.66
SCHEMBL18963247 0.65
SCHEMBL85493 0.64 TSHR (0.57) ALDH1A1TSHRTET2
SCHEMBL7744110 0.64
SCHEMBL17449768 0.64 ALDH1A1 (0.36) ALDH1A1TSHRTET2
Pivalate SCHEMBL28288068 0.63 TSHR (0.47) ALDH1A1TSHRTET2
SCHEMBL11122942 0.63 TSHR (0.47) ALDH1A1TSHR

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-9840457-B2 Lysine isotopologues, compositions comprising the same and methods of synthesis CAMBRIDGE ISOTOPE LABORATORIES, INC. (US) 2017-12-12 US disclosed
US-20160016890-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS CAMBRIDGE ISOTOPE LABORATORIES, INC. 2016-01-21 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-20160016890-A1 LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS PLOD1, PHYKPL, AADAT ALDH1A1 374/4885TSHR 3646/4885TET2 737/4885

“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.