SCHEMBL13044017

SCHEMBL13044017

CCCCOc1c(Br)cc(F)cc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXRA P19793 3/20 0.32
PPARG P37231 2/20 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
SCHEMBL13044404 0.85 THRA (0.39) THRATHRBMEN1ALDH1A1POLB
SCHEMBL13508907 0.79 MAPT (0.40) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL13044012 0.77 THRA (0.42) THRATHRBRXRA
SCHEMBL8242910 0.74 THRA (0.47) THRATHRBMEN1ALDH1A1POLB
SCHEMBL6473245 0.73 RXRA (0.46) THRATHRBMEN1ALDH1A1POLB
SCHEMBL29204862 0.72 THRA (0.46) THRATHRBMEN1ALDH1A1POLB
SCHEMBL13144437 0.72 THRA (0.46) THRATHRBMEN1ALDH1A1POLB
SCHEMBL13044014 0.70 THRA (0.44) THRATHRBMEN1ALDH1A1POLB
SCHEMBL16687424 0.69 THRA (0.47) THRATHRBMEN1ALDH1A1POLB
SCHEMBL6472679 0.69 THRA (0.46) THRATHRBMEN1ALDH1A1POLB

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 3204/4885MEN1 4740/4885

“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.