SCHEMBL13578414

SCHEMBL13578414

COc1ccc(Cc2ccccc2O)cc1-c1cccc([NH+]([O-])O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ HTR7 P34969 3/20 0.38
▸ GABRA1 P14867 6/20 0.37
▸ GABRB2 P47870 6/20 0.37
▸ ALOX5 P09917 3/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ CALM1 P0DP23 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ PDE4B Q07343 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
SCHEMBL13578418 0.89 PDE4D (0.41) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL13578416 0.88 PDE4B (0.42) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL13578467 0.88 PDE4D (0.42) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL13578417 0.84 PDE4D (0.44) PDE4DHTR7
SCHEMBL13578415 0.84 PDE4D (0.44) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL13578466 0.83 PDE4D (0.41) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL15906168 0.82 HDAC4 (0.45) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL13578408 0.82 PDE4D (0.47) PDE4DHTR7PDE4B
SCHEMBL13578413 0.82 PDE4D (0.44) HDAC4HDAC2HDAC8PDE4DHTR7
SCHEMBL10440089 0.81 PDE4D (0.40) HDAC4HDAC2HDAC8PDE4DHTR7

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-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — 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-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B HDAC4 73/4885HDAC2 453/4885HDAC8 913/4885

“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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