SCHEMBL18349841

SCHEMBL18349841

COc1ccc(C(OC[C@@H](NC(=O)CCCCCNC(=O)C(F)(F)F)[C@@H](C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 9/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ NQO2 P16083 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL27292832 0.91 GAA (0.34) HDAC1HDAC6SMN1; SMN2GAAHDAC3
SCHEMBL22959400 0.84 HDAC1 (0.34) HDAC1HDAC8HDAC6HDAC3
SCHEMBL22960798 0.84 HDAC1 (0.34) HDAC1HDAC8HDAC6HDAC3
SCHEMBL18349843 0.80 HDAC1 (0.45) HDAC1HDAC8HDAC6SMN1; SMN2GAA
SCHEMBL20233444 0.79 GAA (0.34) HDAC6GAAALDH1A1KMT2A
SCHEMBL16329615 0.79 — —
SCHEMBL21431166 0.79 HDAC6 (0.38) HDAC1HDAC6SMN1; SMN2HDAC3ALDH1A1
SCHEMBL21431255 0.79 HDAC6 (0.38) HDAC1HDAC6SMN1; SMN2HDAC3ALDH1A1
SCHEMBL12191613 0.79 SMN1; SMN2 (0.33) HDAC6SMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL20371110 0.79 — —

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
WO-2024002924-A2 FLUORESCENT DYES WITH LARGE STOKES SHIFT F. HOFFMANN-LA ROCHE AG (CH) 2024-01-04 — — WO disclosed
US-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION BANK OF AMERICA, N.A. 2016-12-29 — — 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-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION IGF2R, IRS1, INSR HDAC1 2062/4885HDAC8 648/4885HDAC6 935/4885

“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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