SCHEMBL6320909

SCHEMBL6320909

COc1cc(C(=O)C2C(c3ccc(N(C)C)c(OOP(=O)(O)O)c3)C2(C)C)cc(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
GFER P55789 1/20 0.36
MCL1 Q07820 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
TUBB1 Q9H4B7 5/20 0.32
TUBB4A P04350 4/20 0.32
TUBB P07437 4/20 0.32
TUBA3C P0DPH7 4/20 0.32
TUBA1B P68363 4/20 0.32
TUBA4A P68366 4/20 0.32
TUBB4B P68371 4/20 0.32
TUBB3 Q13509 4/20 0.32
TUBB2A Q13885 4/20 0.32
TUBB8 Q3ZCM7 4/20 0.32
TUBA3E Q6PEY2 4/20 0.32

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
SCHEMBL6315421 0.90 MAPK1 (0.35) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6316898 0.89 ACHE (0.36) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL6321863 0.86 SLC9A1 (0.35) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL6314713 0.83 MAPT (0.35) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL7120925 0.83 TUBB1 (0.39) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6315611 0.82 TUBB1 (0.40) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6317758 0.82 TUBB4A (0.41) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6317102 0.81 TUBB4A (0.38) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6316259 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6316501 0.78 PDK1 (0.35) LMNAMAPTMAPK1TUBB1TUBB4A

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-6887904-B2 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-05-03 US disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR ALDH1A1 682/4885LMNA 3280/4885MAPT 4538/4885

“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.