SCHEMBL13627286

SCHEMBL13627286

CCONC(=O)CCCCCCC(=O)N1CCc2c([nH]c3ccccc23)C1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.76
HDAC1 Q13547 2/20 0.76
GPX4 P36969 1/20 0.59
TRPV1 Q8NER1 13/20 0.57
TAAR1 Q96RJ0 1/20 0.55
FAAH O00519 1/20 0.52

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
SCHEMBL8315964 0.90 HDAC6 (0.65) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL8252701 0.87 HDAC6 (1.00) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL18688569 0.87 HDAC6 (0.77) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL14924871 0.83 HDAC1 (0.54) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL12660615 0.83 TRPV1 (0.55) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL12660612 0.82 HDAC1 (0.53) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL12395382 0.81 HDAC1 (0.51) HDAC6HDAC1
SCHEMBL8320157 0.81 HDAC6 (0.74) HDAC6HDAC1GPX4TRPV1TAAR1
SCHEMBL12395383 0.81 HDAC1 (0.50) HDAC6HDAC1
SCHEMBL12660620 0.80 HDAC1 (0.51) HDAC6HDAC1GPX4TRPV1TAAR1

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-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 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-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 HDAC6 1058/4885HDAC1 9/4885GPX4 2798/4885

“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.