SCHEMBL6853300

SCHEMBL6853300

COc1ccc(OC)c(C(=O)C2C(c3ccc(OC)c(N)c3)C2(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 1/20 0.46
SLC9A1 P19634 1/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.37

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
SCHEMBL6316509 0.92 SLC9A1 (0.42) ALDH1A1MAPTMEN1KMT2ASLC9A1
SCHEMBL6314892 0.92 SLC9A1 (0.42) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6323366 0.89 SLC9A1 (0.40) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL7127522 0.89 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ASLC9A1
SCHEMBL6858593 0.87 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6860112 0.87 MAPT (0.45) ALDH1A1MAPTMEN1KMT2ASLC9A1
SCHEMBL6858630 0.84 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ASLC9A1
SCHEMBL7123543 0.84 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ASLC9A1
SCHEMBL7127033 0.82 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7115887 0.82 TUBB1 (0.51) ALDH1A1MAPTMEN1KMT2ASLC9A1

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
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 ALDH1A1 682/4885MAPT 4538/4885MEN1 2077/4885

“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.