SCHEMBL1683258

SCHEMBL1683258

OB(O)c1ccccc1OC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
SLC6A3 Q01959 4/20 0.38
LIPE Q05469 1/20 0.37
PDE4B Q07343 2/20 0.37
KDM4C Q9H3R0 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
PTPN1 P18031 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29955467 1.00 ENPP2 (0.43) ENPP2SLC6A3LIPEPDE4BKDM4C
SCHEMBL30788461 0.84 KDM4C (0.41) SLC6A3PDE4BKDM4CPTPN1HRH3
SCHEMBL6342508 0.84 KDM4C (0.41) SLC6A3PDE4BKDM4CPTPN1HRH3
SCHEMBL2780345 0.83 L3MBTL1 (0.40) PDE4BPTPN1HRH3
SCHEMBL2778688 0.83 L3MBTL1 (0.40) PDE4BPTPN1HRH3
SCHEMBL13038346 0.83 PTPN1 (0.36) SLC6A3PDE4BKDM4CPTPN1MEN1
SCHEMBL8340573 0.81 KDM4C (0.46) ENPP2SLC6A3LIPEKDM4CHRH3
SCHEMBL13508908 0.80 KDM4C (0.36) SLC6A3PDE4BKDM4CPTPN1HRH3
SCHEMBL1680042 0.80 KDM4C (0.37) SLC6A3PDE4BKDM4CPTPN1MEN1
SCHEMBL7241320 0.80 ALDH1A1 (0.44) SLC6A3PDE4BMEN1KMT2A

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
US-20110082261-A1 Multifunctional materials consisting of regioregular poly(3-alkylthiophene)s covalently attached on carbon nanotubes for photovoltaic applications ADVENT TECHNOLOGIES, S.A. (GR) 2011-04-07 US disclosed
US-7854862-B2 Multifunctional materials consisting of regioregular poly(3-alkylthiophene)s covalently attached on carbon nanotubes for photovoltaic applications ADVENT TECHNOLOGIES (GR) 2010-12-21 US disclosed
WO-2009090497-A2 MULTIFUNCTIONAL MATERIALS CONSISTING OF REGIOREGULAR POLY(3-ALKYLTHIOPHENE)S COVALENTLY ATTACHED ON CARBON NANOTUBES FOR PHOTOVOLTAIC APPLICATIONS ADVENT TECHNOLOGIES (US) 2009-07-23 WO disclosed
US-20090085012-A1 Multifunctional materials consisting of regioregular poly(3-alkylthiophene)s covalently attached on carbon nanotubes for photovoltaic applications ADVENT TECHNOLOGIES (GR) 2009-04-02 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-20110082261-A1 Multifunctional materials consisting of regioregular poly(3-alkylthiophene)s covalently attached on carbon nanotubes for photovoltaic applications PARN, PARG, CLTA ENPP2 1905/4885SLC6A3 1008/4885LIPE 4809/4885

“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.