SCHEMBL19455152

SCHEMBL19455152

C#Cc1ccc([C@H](O)COC)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.38
HDAC8 Q9BY41 1/20 0.36
PYGL P06737 1/20 0.34
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR1A P08908 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL16070733 1.00 AOC3 (0.38) AOC3HDAC8PYGLMAPTALDH1A1
SCHEMBL16070677 0.89 AOC3 (0.33) AOC3HDAC8PYGLALDH1A1KDM4E
SCHEMBL17521197 0.82 HDAC8 (0.34) AOC3HDAC8ALDH1A1SMN1; SMN2LMNA
SCHEMBL16070703 0.81 APP (0.33)
SCHEMBL13849426 0.79 LMNA (0.54) AOC3HDAC8MAPTALDH1A1HTR1A
SCHEMBL17518200 0.79 LMNA (0.54) AOC3HDAC8MAPTALDH1A1HTR1A
SCHEMBL26931788 0.78 SCN4A (0.39) HDAC8
SCHEMBL26648121 0.78 SCN4A (0.39) HDAC8
SCHEMBL26648119 0.78 SCN4A (0.39) HDAC8
SCHEMBL28039508 0.77 ACACB (0.38) AOC3PYGL

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
US-20190054179-A1 NOVEL PHARMACEUTICAL COMPOSITION CONTAINING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2019-02-21 US disclosed
US-20170296503-A1 METHOD FOR USING NOVEL HYDROXAMIC ACID DERIVATIVE AND ANTIBACTERIAL SUBSTANCE IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2017-10-19 US disclosed
US-20170290918-A1 NOVEL PHARMACEUTICAL COMPOSITION CONTAINING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHICAL CO., LTD. (JP) 2017-10-12 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 (3 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-20170290918-A1 NOVEL PHARMACEUTICAL COMPOSITION CONTAINING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC7A1, SLC16A1 AOC3 4630/4885HDAC8 209/4885PYGL 1241/4885
US-20170296503-A1 METHOD FOR USING NOVEL HYDROXAMIC ACID DERIVATIVE AND ANTIBACTERIAL SUBSTANCE IN COMBINATION EGLN2, NGLY1, NAAA AOC3 4092/4885HDAC8 125/4885PYGL 2039/4885
US-20190054179-A1 NOVEL PHARMACEUTICAL COMPOSITION CONTAINING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF HAAO, HPD, HCAR2 AOC3 4258/4885HDAC8 929/4885PYGL 968/4885

“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.