SCHEMBL2531377

SCHEMBL2531377

CCCCCCC(=O)Nc1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.76
HDAC1 Q13547 3/20 0.76
HDAC2 Q92769 3/20 0.76
HDAC10 Q969S8 3/20 0.76
HDAC11 Q96DB2 2/20 0.76
HDAC8 Q9BY41 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
NCOR2 Q9Y618 1/20 0.76
HDAC4 P56524 1/20 0.73
HDAC7 Q8WUI4 1/20 0.73
HDAC9 Q9UKV0 1/20 0.73
HDAC5 Q9UQL6 1/20 0.73
ENPP2 Q13822 1/20 0.64
DGAT2 Q96PD7 1/20 0.64
PSMB11 A5LHX3 1/20 0.64
PSMA7 O14818 1/20 0.64
PSMB1 P20618 1/20 0.64
PSMA1 P25786 1/20 0.64
PSMA2 P25787 1/20 0.64
PSMA3 P25788 1/20 0.64

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
SCHEMBL13254437 1.00 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5968936 1.00 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17252159 1.00 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9320350 1.00 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26420478 0.98 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6694936 0.93 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9510547 0.93 ENPP2 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9858666 0.93 ENPP2 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL675018 0.93 ENPP2 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
Methane SCHEMBL28141646 0.91 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039669-B2 Catalytic metathesis of secondary amides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-10-18 US disclosed
US-20090299098-A1 Catalytic Metathesis of Secondary Amides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-12-03 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-20090299098-A1 Catalytic Metathesis of Secondary Amides NAAA, NAT1, NAT10 HDAC3 1215/4885HDAC1 506/4885HDAC2 477/4885

“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.