SCHEMBL20371135

SCHEMBL20371135

CCOC(=O)CCCCCCCCCCC(=O)N[C@H](COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ASAH1 Q13510 1/20 0.38
▸ ACER2 Q5QJU3 1/20 0.38

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
SCHEMBL20371134 0.90 GAA (0.45) HDAC6GAAKMT2AALDH1A1HTR1A
SCHEMBL3839548 0.89 GAA (0.43) HDAC6GAAKMT2AALDH1A1CYP3A4
SCHEMBL5964225 0.89 GAA (0.43) HDAC6GAAKMT2AALDH1A1CYP3A4
SCHEMBL18349843 0.84 HDAC1 (0.45) HDAC6GAAKMT2AALDH1A1
SCHEMBL19709614 0.82 HDAC6 (0.42) HDAC6GAAKMT2AALDH1A1
SCHEMBL27240993 0.81 SLC6A9 (0.41) KMT2AALDH1A1
SCHEMBL27240989 0.81 SLC6A9 (0.41) KMT2AALDH1A1
SCHEMBL4447235 0.80 KMT2A (0.52) HDAC6KMT2AHTR1ADRD2HTR7
SCHEMBL16949984 0.79 BCHE (0.46) —
SCHEMBL16982718 0.79 BCHE (0.46) —

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-20180193471-A1 ß2GPI GENE EXPRESSION-SUPPRESSING NUCLEIC ACID CONJUGATE KYOWA HAKKO KIRIN CO., LTD. (JP) 2018-07-12 — — 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-20180193471-A1 ß2GPI GENE EXPRESSION-SUPPRESSING NUCLEIC ACID CONJUGATE GALNT2, ST6GAL1, SLC17A5 HDAC6 2964/4885GAA 359/4885KMT2A 2553/4885

“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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