SCHEMBL13521692

SCHEMBL13521692

CCCCCC[N+](C)(C)CCCNC(=O)CCC(=O)N(CCN)Cc1ccc(CN(CCN)C(=O)CCC(=O)NCCC[N+](C)(C)CCCCCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ CNR2 P34972 2/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ TPSAB1 Q15661 2/20 0.38
▸ DNM1 Q05193 1/20 0.38

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
SCHEMBL13875714 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL13919712 0.83 TPSAB1 (0.47) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL14012381 0.80 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL13521694 0.80 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL14703494 0.80 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL13521689 0.79 TPSAB1 (0.47) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL14703486 0.78 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL13521700 0.78 TPSAB1 (0.49) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL14703491 0.77 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL14703492 0.75 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6NCOR2

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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 — — US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 — — 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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP HDAC3 871/4885HDAC1 715/4885HDAC2 2082/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS HDAC3 3230/4885HDAC1 2165/4885HDAC2 3879/4885

“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.

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