SCHEMBL18349840

SCHEMBL18349840

COc1ccc(C(OC[C@@H](NC(=O)CCCCCNC(=O)C(F)(F)F)[C@@H](C)OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 9/20 0.40
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ NQO2 P16083 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ ITGB3 P05106 2/20 0.35
▸ ITGAV P06756 2/20 0.35

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 0.88 HDAC1 (0.45) HDAC1HDAC8HDAC6GAASMN1; SMN2
SCHEMBL6516358 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6GAASMN1; SMN2
SCHEMBL20371134 0.79 GAA (0.45) HDAC1HDAC8HDAC6GAAALDH1A1
SCHEMBL18349841 0.78 HDAC1 (0.35) HDAC1HDAC8HDAC6GAASMN1; SMN2
SCHEMBL20371106 0.78 ALDH1A1 (0.38) GAAALDH1A1KMT2A
SCHEMBL14286694 0.76 NPC1 (0.42) HDAC1HDAC8HDAC6KMT2ANQO2
SCHEMBL14286735 0.74 NPC1 (0.40) HDAC1HDAC8HDAC6NQO2MTNR1A
SCHEMBL19709614 0.74 HDAC6 (0.42) HDAC1HDAC6GAASMN1; SMN2ALDH1A1
SCHEMBL20371135 0.74 HDAC6 (0.43) HDAC6GAAALDH1A1KMT2A
SCHEMBL20528865 0.73 MMP2 (0.42) GAAKMT2A

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-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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