SCHEMBL12629024

SCHEMBL12629024

CCCC[C@@H]1NC[C@H](C(=O)C2CCCCC2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SIRT2 Q8IXJ6 5/20 0.39
SIRT1 Q96EB6 5/20 0.39
SIRT3 Q9NTG7 5/20 0.39
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
NAAA Q02083 2/20 0.35
CCR2 P41597 2/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
IDE P14735 1/20 0.32
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL13611032 0.93 SIRT2 (0.36) ALDH1A1SIRT2SIRT1SIRT3MMP1
SCHEMBL12236087 0.93 SIRT2 (0.36) ALDH1A1SIRT2SIRT1SIRT3MMP1
SCHEMBL12236110 0.93 SIRT2 (0.36) ALDH1A1SIRT2SIRT1SIRT3MMP1
SCHEMBL12236119 0.93 SIRT2 (0.36) ALDH1A1SIRT2SIRT1SIRT3MMP1
SCHEMBL12572105 0.80 SIRT2 (0.40) ALDH1A1SIRT2SIRT1SIRT3NAAA
SCHEMBL10186994 0.80 ALDH1A1 (0.42) ALDH1A1SIRT2SIRT1SIRT3NAAA
SCHEMBL12572143 0.80 SIRT2 (0.40) ALDH1A1SIRT2SIRT1SIRT3NAAA
SCHEMBL12572140 0.80 SIRT2 (0.40) ALDH1A1SIRT2SIRT1SIRT3NAAA
SCHEMBL13170335 0.80 SIRT2 (0.40) ALDH1A1SIRT2SIRT1SIRT3NAAA
SCHEMBL13435356 0.80 SIRT2 (0.40) ALDH1A1SIRT2SIRT1SIRT3NAAA

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-7964181-B2 Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES, INC. (US) 2011-06-21 US disclosed
US-20100075895-A1 Cyclic Natriuretic Peptide Constructs PALATIN TECHNOLOGIES, INC. (US) 2010-03-25 US disclosed
US-7622440-B2 Cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2009-11-24 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-20100075895-A1 Cyclic Natriuretic Peptide Constructs NPR1, NPR3, NPPA ALDH1A1 4870/4885SIRT2 4300/4885SIRT1 3674/4885

“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.