SCHEMBL17348043

SCHEMBL17348043

CCCNCCN(CCC)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.44
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
CA1 P00915 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
REN P00797 1/20 0.32
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 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
SCHEMBL13886548 0.85 PAOX (0.39) PAOX
SCHEMBL483128 0.82 CA12 (0.55) CA12CA2CA9TSHRMAPK1
SCHEMBL21952917 0.81 CA12 (0.41) CA12CA2CA9TSHRMAPK1
SCHEMBL1834034 0.81 CA12 (0.41) CA12CA2CA9TSHRMAPK1
SCHEMBL11812875 0.80 CA12 (0.44) PAOXCA12CA9TSHRALDH1A1
Hydrochloric Acid SCHEMBL3020939 0.79 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL13055372 0.79 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL13055369 0.79 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL13055370 0.79 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL10652719 0.78 CA12 (0.43) PAOXCA12CA2CA9TSHR

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-20150361031-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-17 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-20150361031-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 PAOX 2082/4885CA12 1681/4885CA2 2705/4885

“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.