SCHEMBL14924871

SCHEMBL14924871

CCONC(=O)CCCCCCC(=O)N1CCc2c([nH]c3ccc(OCC(C)=O)cc23)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.54
HDAC6 Q9UBN7 3/20 0.54
TRPV1 Q8NER1 8/20 0.53
BAZ2B Q9UIF8 1/20 0.42
KDR P35968 2/20 0.40
GPX4 P36969 1/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL12660615 0.93 TRPV1 (0.55) HDAC1HDAC6TRPV1BAZ2BKDR
SCHEMBL12660612 0.93 HDAC1 (0.53) HDAC1HDAC6TRPV1BAZ2BKDR
SCHEMBL12660620 0.86 HDAC1 (0.51) HDAC1HDAC6TRPV1KDRGPX4
SCHEMBL12831136 0.84 TRPV1 (0.49) HDAC1HDAC6TRPV1BAZ2BKDR
SCHEMBL13627286 0.83 HDAC6 (0.76) HDAC1HDAC6TRPV1GPX4TAAR1
SCHEMBL12660616 0.82 HDAC1 (0.46) HDAC1HDAC6TRPV1KDRGPX4
SCHEMBL12831137 0.82 HDAC1 (0.49) HDAC1HDAC6TRPV1KDRGPX4
SCHEMBL8243500 0.80 HDAC1 (0.71) HDAC1HDAC6TRPV1BAZ2BKDR
SCHEMBL8243868 0.76 HDAC1 (0.62) HDAC1HDAC6TRPV1GPX4ATM
SCHEMBL8315964 0.76 HDAC6 (0.65) HDAC1HDAC6TRPV1GPX4TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 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 (2 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC6 11/4885TRPV1 4830/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC6 557/4885TRPV1 4811/4885

“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.