SCHEMBL15906121

SCHEMBL15906121

COC(=O)c1ccccc1Cc1ccc(OC)c(-c2cccc(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.47
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 1/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL8066158 0.87 PDE4D (0.48) PDE4DMAPTNPSR1HTTFFAR1
SCHEMBL13578417 0.84 PDE4D (0.44) PDE4DMAPTNPSR1HTTHSP90AA1
SCHEMBL3788847 0.84 KMT2A (0.46) PDE4DMAPTNPSR1HTTTUBB4A
SCHEMBL15906165 0.83 PDE4D (0.52) PDE4DMAPTNPSR1HTTHSP90AA1
SCHEMBL15906112 0.82 TP53 (0.45) PDE4DFFAR1FFAR4TUBB4ATUBB
SCHEMBL15906168 0.82 HDAC4 (0.45) PDE4DMAPTFFAR1FFAR4HSD17B10
SCHEMBL15906186 0.80 TP53 (0.45) PDE4DFFAR1FFAR4HSD17B10LMNA
SCHEMBL15906180 0.79 PDE4D (0.42) PDE4DMAPTNPSR1FFAR1FFAR4
SCHEMBL15906176 0.76 GAA (0.55) PDE4DMAPTNPSR1HTTFFAR1
SCHEMBL15906104 0.75 PDE4B (0.46) PDE4DFFAR4HSD17B10LMNAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885MAPT 1932/4885NPSR1 1986/4885

“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.