SCHEMBL23969638

SCHEMBL23969638

O=C(CCCCCCCC(=O)ON1C(=O)c2ccccc2C1=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL30731584 1.00 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1HDAC8HDAC3
SCHEMBL28693655 0.98 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1HDAC8HDAC3
SCHEMBL29732735 0.94 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1HDAC8HDAC3
SCHEMBL23969591 0.94 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1HDAC8HDAC3
SCHEMBL8378082 0.94 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1HDAC8HDAC3
SCHEMBL3679722 0.92 ASAH1 (0.50) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL3678799 0.92 ASAH1 (0.50) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL3678825 0.92 ASAH1 (0.50) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL1537374 0.92 ASAH1 (0.50) ALDH1A1HPGDL3MBTL1KMT2AMEN1
SCHEMBL3441079 0.92 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1HDAC8HDAC3

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
CN-110799193-B Copper and nickel catalyzed decarboxylation borylation 斯克利普斯研究院 2023-12-12 CN disclosed
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2022-01-27 US disclosed
US-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-02 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-11161859-B2 Cu- and Ni-catalyzed decarboxylative borylation reactions PCSK9, LIPA, ACSL3 ALDH1A1 3656/4885HPGD 1472/4885L3MBTL1 1674/4885
US-20220024949-A1 CU-AND NI-CATALYZED DECARBOXYLATIVE BORYLATION REACTIONS PCSK9, PCSK7, PCSK6 ALDH1A1 3619/4885HPGD 1376/4885L3MBTL1 3137/4885

“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.