SCHEMBL546531

SCHEMBL546531

COc1ccc(CNc2cc(Oc3ccc4c(c3)CC(C(=O)O)CC4)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.49
BRAF P15056 10/20 0.49
FAAH O00519 7/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL345995 0.81 BRAF (0.63) RAF1BRAFFAAH
SCHEMBL345996 0.81 BRAF (0.63) RAF1BRAFFAAH
SCHEMBL546139 0.80 RAF1 (0.46) RAF1BRAFFAAHCYP4F2CYP4A11
SCHEMBL14500505 0.80 MTNR1A (0.41) FAAHCYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL14493372 0.80 MTNR1A (0.41) RAF1BRAFFAAHCYP4F2CYP4A11
SCHEMBL545382 0.80 TP53 (0.42) FAAHCYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL345882 0.77 MTNR1A (0.60) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL8603880 0.77 MTNR1A (0.60) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL345881 0.77 MTNR1A (0.60) CYP4F2CYP4A11MTNR1AMTNR1B
SCHEMBL545924 0.76 FAAH (0.53) RAF1BRAFFAAHCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 RAF1 198/4885BRAF 215/4885FAAH 3815/4885

“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.