SCHEMBL10041513

SCHEMBL10041513

c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)nc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.71
ESR1 P03372 2/20 0.71
GRIA1 P42261 1/20 0.63
CACNG8 Q8WXS5 1/20 0.63
CACNG2 Q9Y698 1/20 0.63
HTT P42858 2/20 0.62
MAPK1 P28482 1/20 0.62
RECQL P46063 1/20 0.56
PTGS2 P35354 1/20 0.56
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
GSK3B P49841 1/20 0.55
ROCK1 Q13464 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
GSR P00390 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL16692234 1.00 ESR2 (0.71) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL14160911 0.98 ESR1 (0.73) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL804992 0.98 ESR2 (0.73) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL5653323 0.95 ESR1 (0.65) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL541157 0.94 ESR2 (0.78) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL22414159 0.93 ESR1 (0.68) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL22618152 0.93 ESR1 (0.68) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL13414459 0.93 ESR1 (0.63) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL30282233 0.93 ESR2 (0.76) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL29406589 0.93 ESR2 (0.76) ESR2ESR1GRIA1CACNG8CACNG2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118667537-A Construction and formula of organic single-molecule-based white light gel system 怀化学院 2024-09-20 CN disclosed
US-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARM Y (US) 2017-02-16 US disclosed
US-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARM Y (US) 2017-02-16 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-20150060837-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SONY CORPORATION (JP) 2015-03-05 US disclosed
US-20150060837-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SONY CORPORATION (JP) 2015-03-05 US disclosed
US-8906517-B2 Organic electroluminescence device SONY CORPORATION (JP) 2014-12-09 US disclosed
US-8906517-B2 Organic electroluminescence device SONY CORPORATION (JP) 2014-12-09 US disclosed
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 EP disclosed
US-20120168735-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-07-05 US disclosed
US-20120168735-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-07-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20070287029-A1 Aromatic Amine Compound and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2007-12-13 US disclosed
US-20070287029-A1 Aromatic Amine Compound and Organic Electroluminescent Device Using Same IDEMITSU KOSAN CO., LTD. (JP) 2007-12-13 US disclosed
US-20070148494-A1 Display device SONY CORPORATION (JP) 2007-06-28 US disclosed
US-20070148494-A1 Display device SONY CORPORATION (JP) 2007-06-28 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 (4 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-20170047525-A1 BENZOTRIIMIDAZOLE MATERIALS BRI3BP, CCNI, FLI1 ESR2 564/4885ESR1 500/4885GRIA1 1368/4885
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 ESR2 1043/4885ESR1 255/4885GRIA1 1812/4885
US-20070287029-A1 Aromatic Amine Compound and Organic Electroluminescent Device Using Same TYR, TRPA1, MAOA ESR2 1258/4885ESR1 217/4885GRIA1 1497/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 ESR2 1043/4885ESR1 255/4885GRIA1 1812/4885

“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.