SCHEMBL13508908

SCHEMBL13508908

CCCOB(OCCC)c1ccccc1OC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ADORA3 P0DMS8 1/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 2/20 0.32
DHFR P00374 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL13508906 0.86 L3MBTL1 (0.40) KDM4CHRH3PDE4BPTPN1L3MBTL1
SCHEMBL13508904 0.83 NPC1 (0.43) KDM4CPDE4BMEN1KMT2APTPN1
SCHEMBL29955467 0.80 ENPP2 (0.43) KDM4CHRH3PDE4BMEN1KMT2A
SCHEMBL1683258 0.80 ENPP2 (0.43) KDM4CHRH3PDE4BMEN1KMT2A
SCHEMBL6342508 0.76 KDM4C (0.41) KDM4CHRH3PDE4BMEN1KMT2A
SCHEMBL30788461 0.76 KDM4C (0.41) KDM4CHRH3PDE4BMEN1KMT2A
SCHEMBL6268506 0.75 HPGD (0.40) KDM4CHRH3ADORA3PDE4BPTPN1
SCHEMBL7772627 0.74 HRH3 (0.51) KDM4CHRH3MEN1KMT2AL3MBTL1
SCHEMBL7232880 0.74 HRH3 (0.51) KDM4CHRH3MEN1KMT2AL3MBTL1
SCHEMBL13508911 0.74 SLC6A3 (0.30) SLC6A3

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
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 KDM4C 4300/4885HRH3 2715/4885ADORA3 3842/4885

“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.