SCHEMBL1782530

SCHEMBL1782530

CCCCC(CC)CN1C(=O)c2csc(-c3scc4c3C(=O)N(CC(CC)CCCC)C4=O)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 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
SCHEMBL1498229 0.90 KMT2A (0.39) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL1498233 0.87 KMT2A (0.39) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL28464713 0.87 KMT2A (0.42) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL2011192 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL19011346 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL12502653 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL9491373 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL29783582 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL18504927 0.76 KDM4E (0.33) ALDH1A1KMT2AKDM4ETHRBHPGD
SCHEMBL16307248 0.76 KDM4E (0.33) ALDH1A1KMT2AKDM4ETHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062152-B2 Organic electronic devices, including organic photovoltaic devices, polymers, and monomers SOLVAY USA, INC. (US) 2015-06-23 US disclosed
US-8968885-B2 Organic electronic devices and polymers, including photovoltaic cells and diketone-based polymers SOLVAY USA, INC. (US) 2015-03-03 US disclosed
US-8968885-B2 Organic electronic devices and polymers, including photovoltaic cells and diketone-based polymers SOLVAY USA, INC. (US) 2015-03-03 US disclosed
US-8968885-B2 Organic electronic devices and polymers, including photovoltaic cells and diketone-based polymers SOLVAY USA, INC. (US) 2015-03-03 US disclosed
US-8691931-B2 Organic electronic devices and polymers, including photovoltaic cells and diketone-based and diketopyrrolopyrrole-based polymers PLEXTRONICS, INC. (US) 2014-04-08 US disclosed
US-8691931-B2 Organic electronic devices and polymers, including photovoltaic cells and diketone-based and diketopyrrolopyrrole-based polymers PLEXTRONICS, INC. (US) 2014-04-08 US disclosed
US-20110204341-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS PLEXTRONICS, INC. 2011-08-25 US disclosed
US-20110204341-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS PLEXTRONICS, INC. 2011-08-25 US disclosed
US-20110204341-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS PLEXTRONICS, INC. 2011-08-25 US disclosed
US-20110114184-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS PLEXTRONICS, INC. 2011-05-19 US disclosed
US-20110114184-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS PLEXTRONICS, INC. 2011-05-19 US disclosed
US-20110114184-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS PLEXTRONICS, INC. 2011-05-19 US disclosed
WO-2011028827-A2 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED POLYMERS PLEXTRONICS, INC. (US) 2011-03-10 WO disclosed
WO-2011028829-A2 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS PLEXTRONICS, INC. (US) 2011-03-10 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-20110114184-A1 ORGANIC ELECTRONIC DEVICES AND POLYMERS, INCLUDING PHOTOVOLTAIC CELLS AND DIKETONE-BASED AND DIKETOPYRROLOPYRROLE-BASED POLYMERS CCNE2, PIN1, TPRKB ALDH1A1 1556/4885KMT2A 751/4885KDM4E 409/4885

“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.