SCHEMBL339899

SCHEMBL339899

C=C(C)C(=O)NCC(CC)OC(=O)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TGFBR1 P36897 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
SCHEMBL339382 0.88 TSHR (0.31) TSHR
SCHEMBL339217 0.85 CA1 (0.34) TSHR
SCHEMBL339839 0.82 TSHR (0.35) TSHRTHRBMEN1KMT2ATGFBR1
SCHEMBL10016884 0.77 TSHR (0.32) TSHRMEN1KMT2A
SCHEMBL3246641 0.77
SCHEMBL4834711 0.75 TSHR (0.36) TSHR
SCHEMBL18101450 0.73 THRB (0.39) TSHRTHRBTGFBR1
SCHEMBL339706 0.73 TSHR (0.38) TSHRTHRBMEN1KMT2ATGFBR1
Lactic Acid SCHEMBL545470 0.72 TGFBR1 (0.40) MEN1KMT2ATGFBR1
SCHEMBL799428 0.72 TGFBR1 (0.37) TSHRTHRBMEN1KMT2ATGFBR1

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-20120015034-A1 TEMPERATURE SENSITIVE POLYMERS UNIVERSITEIT UTRECHT (NL) 2012-01-19 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-20120015034-A1 TEMPERATURE SENSITIVE POLYMERS LCT, LDHA, LDHB TSHR 4451/4885THRB 2644/4885MEN1 3434/4885

“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.