SCHEMBL6315481

SCHEMBL6315481

COc1cc(C(=O)C2CC2c2ccc(C)c(N)c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 11/20 0.54
TUBB4A P04350 10/20 0.54
TUBB P07437 10/20 0.54
TUBA3C P0DPH7 10/20 0.54
TUBA1B P68363 10/20 0.54
TUBA4A P68366 10/20 0.54
TUBB4B P68371 10/20 0.54
TUBB3 Q13509 10/20 0.54
TUBB2A Q13885 10/20 0.54
TUBB8 Q3ZCM7 10/20 0.54
TUBA3E Q6PEY2 10/20 0.54
TUBA1A Q71U36 10/20 0.54
TUBA1C Q9BQE3 10/20 0.54
TUBB6 Q9BUF5 10/20 0.54
TUBB2B Q9BVA1 10/20 0.54
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.41

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
SCHEMBL6316329 0.92 TUBB4A (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6859741 0.91 TUBB1 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6323710 0.89 TUBB1 (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6321031 0.89 TUBB4A (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6313806 0.87 TUBB4A (0.45) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6316451 0.87 TUBB1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7116375 0.87 TUBB4A (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6315082 0.85 TUBB1 (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6009342 0.85 TUBB1 (0.67) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7037837 0.84 TUBB1 (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
EP-1453783-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2004-09-08 EP disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US disclosed
WO-2003048096-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS AVENTIS PHARMA S.A. (FR) 2003-06-12 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR TUBB1 1801/4885TUBB4A 1571/4885TUBB 1991/4885

“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.