SCHEMBL339217

SCHEMBL339217

C=C(C)C(=O)NCC(CCCC)OC(=O)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 3/20 0.33
CTSK P43235 7/20 0.32
ABCB1 P08183 1/20 0.32
FAAH O00519 1/20 0.32
ACHE P22303 1/20 0.32
CNR1 P21554 1/20 0.30
DAGLA Q9Y4D2 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 0.92 TSHR (0.31) TSHRCTSK
SCHEMBL339899 0.85 TSHR (0.33) TSHR
SCHEMBL28615632 0.81 CA1 (0.39) CA1CA2TSHRCTSKACHE
SCHEMBL339839 0.77 TSHR (0.35) TSHR
SCHEMBL548172 0.76 GPR84 (0.38) CA1CA2TSHRFAAH
Lactic Acid SCHEMBL545561 0.75 FAAH (0.38) CA2FAAH
SCHEMBL15821165 0.75 CTSK (0.46) CA1CA2TSHRCTSKABCB1
SCHEMBL15942359 0.75 TSHR (0.40) CA1CA2TSHRCTSKABCB1
SCHEMBL10016884 0.72 TSHR (0.32) TSHR
SCHEMBL536884 0.72 ALDH1A1 (0.41) CA1CA2TSHRABCB1FAAH

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 CA1 439/4885CA2 252/4885TSHR 4451/4885

“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.