SCHEMBL5457149

SCHEMBL5457149

O=C(NC1CCc2cc(C(=O)O)ccc21)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
TBXA2R P21731 1/20 0.45
NAAA Q02083 1/20 0.44
HSD11B1 P28845 1/20 0.44
EPHX1 P07099 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
EPHX2 P34913 2/20 0.43

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
SCHEMBL5460476 0.93 TAOK1 (0.50) ALDH1A1GAATAS1R3TAS1R1TAOK1
SCHEMBL13168136 0.91 ALDH1A1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1590956 0.90 CA1 (0.51) CA1CA2ACHEALDH1A1GAA
SCHEMBL1590831 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1591232 0.86 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL7890484 0.85 CA1 (0.47) CA1CA2ACHEALDH1A1GAA
SCHEMBL13653201 0.84 HDAC1 (0.56) LIPGHDAC8
SCHEMBL5956699 0.84 KMT2A (0.51) CA1CA2ACHEALDH1A1TAOK1
SCHEMBL27812893 0.82 LIPG (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL5956724 0.82 KMT2A (0.47) ALDH1A1GAATSHR

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-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 CA1 2792/4885CA2 656/4885ACHE 1945/4885

“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.