SCHEMBL13044012

SCHEMBL13044012

CCCCOc1c(Br)cc(C(C)(C)C)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
SOAT1 P35610 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
PTPN1 P18031 1/20 0.38
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL13376117 0.82 EGFR (0.38) MAPK1
SCHEMBL13508914 0.82 THRB (0.44) THRATHRB
SCHEMBL13044015 0.81 RXRA (0.40) SOAT1HDAC8RXRARXRBRXRG
SCHEMBL3415618 0.80 PDE4B (0.43) MAPK1
SCHEMBL13044404 0.78 THRA (0.39) THRATHRBRXRA
SCHEMBL13044017 0.77 THRA (0.38) THRATHRBRXRA
SCHEMBL6473245 0.77 RXRA (0.46) THRATHRBRXRARXRBRXRG
SCHEMBL9293371 0.76 ALDH1A1 (0.34) MAPK1RXRARXRBRXRG
SCHEMBL6472679 0.73 THRA (0.46) THRATHRBRXRARXRBRXRG
SCHEMBL3478814 0.72 THRA (0.43) THRATHRBRXRA

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
EP-1501840-B1 BRIDGED BI-AROMATIC LIGANDS, COMPLEXES, CATALYSTS, PROCESSES FOR POLYMERIZING AND POLYMERS THEREFROM SYMYX SOLUTIONS INC (US) 2010-12-22 EP disclosed
US-7659415-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX SOLUTIONS, INC. (US) 2010-02-09 US disclosed
US-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom SYMYX TECHNOLOGIES, INC. (US) 2008-10-30 US disclosed
US-7241715-B2 Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom SYMYX TECHNOLOGIES, INC. (US) 2007-07-10 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-20080269470-A1 Bridged Bi-Aromatic Ligands, Catalysts, Processes For Polymerizing And Polymers Therefrom WEE1, WASF2, WEE2 THRA 3478/4885THRB 3204/4885SOAT1 558/4885

“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.