SCHEMBL7083400

SCHEMBL7083400

Oc1cc(O)cc(-c2cc(C3CCCCC3)ccc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.51
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
QDPR P09417 2/20 0.41
BIRC5 O15392 2/20 0.39
KMO O15229 1/20 0.38
ESR2 Q92731 3/20 0.38
PDK2 Q15119 1/20 0.38
DEGS1 O15121 1/20 0.37
BACE1 P56817 2/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
PELI1 Q96FA3 1/20 0.36
NUDT1 P36639 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
SCHEMBL28791409 0.87 ACMSD (0.51) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL7932026 0.86 ACMSD (0.61) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL27758482 0.84 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8QDPR
Ethane SCHEMBL28112987 0.84 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL21630420 0.83 ACMSD (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL9143330 0.83 ACMSD (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL27695861 0.81 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL29051069 0.78 ACMSD (0.53) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL30478384 0.78 ACMSD (0.53) ACMSDHDAC4HDAC2HDAC8QDPR
P-Cresol SCHEMBL15512160 0.78 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8QDPR

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-20030139479-A1 Non-halogenated biphenyl triol compounds, antimicrobial compositions containing the same, and methods of using the same WARNER-LAMBERT COMPANY 2003-07-24 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-20030139479-A1 Non-halogenated biphenyl triol compounds, antimicrobial compositions containing the same, and methods of using the same AS3MT, PTPN1, NONO ACMSD 1885/4885HDAC4 3603/4885HDAC2 4525/4885

“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.