SCHEMBL5286330

SCHEMBL5286330

O=C(COc1ccc(OCc2ccccc2)cc1)NCC(=O)NC1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 13/20 1.00
TAOK3 Q9H2K8 9/20 0.78
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL31458158 1.00 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL5653384 0.89 TAOK1 (1.00) TAOK1TAOK3
SCHEMBL31458350 0.89 TAOK1 (1.00) TAOK1TAOK3
SCHEMBL14422172 0.88 TAOK3 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL5223796 0.88 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31730310 0.88 TAOK3 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31458362 0.88 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL14422171 0.85 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31730316 0.85 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD
SCHEMBL31458377 0.85 TAOK1 (1.00) TAOK1TAOK3ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
EP-1678121-A4 TAO KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2007-07-25 EP disclosed
EP-1678121-A2 TAO KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-07-12 EP disclosed
WO-2005040355-A2 TAO KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-05-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 TAOK1 1/4885TAOK3 2/4885ALDH1A1 4424/4885

“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.