SCHEMBL19709614

SCHEMBL19709614

C#CCCC(=O)NCCCCCC(=O)N[C@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BCHE P06276 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL18349843 0.85 HDAC1 (0.45) HDAC6SMN1; SMN2HDAC3HDAC1GAA
SCHEMBL20371134 0.85 GAA (0.45) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL5964225 0.83 GAA (0.43) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL3839548 0.83 GAA (0.43) HDAC6HDAC3HDAC1GAAALDH1A1
SCHEMBL20371135 0.82 HDAC6 (0.43) HDAC6GAAALDH1A1KMT2A
SCHEMBL4447235 0.80 KMT2A (0.52) HDAC6SMN1; SMN2KMT2A
SCHEMBL27240989 0.76 SLC6A9 (0.41) ALDH1A1KMT2A
SCHEMBL27240993 0.76 SLC6A9 (0.41) ALDH1A1KMT2A
SCHEMBL19463708 0.75 HDAC6 (0.43) HDAC6SMN1; SMN2HDAC3HDAC1ALDH1A1
SCHEMBL19463709 0.75 HDAC6 (0.43) HDAC6SMN1; SMN2HDAC3HDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354743-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN AFFYCON APS (DK) 2017-12-14 — — 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-20170354743-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN CD2BP2, CACYBP, CALCOCO2 HDAC6 1806/4885SMN1; SMN2 2328/4885HDAC3 3437/4885

“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.

Send feedback