SCHEMBL16692137

SCHEMBL16692137

c1ccc(-n2c(-c3ccc(-c4ccc5ccc6ccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)cc6c5c4)cc3)nc3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
GRIA1 P42261 1/20 0.53
CACNG8 Q8WXS5 1/20 0.53
CACNG2 Q9Y698 1/20 0.53
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.51
PTGS2 P35354 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
GSK3B P49841 1/20 0.47
ROCK1 Q13464 1/20 0.47
PTGER4 P35408 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL19871618 0.95 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL23759389 0.93 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12144487 0.93 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19956054 0.90 ESR2 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17523195 0.90 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL29512101 0.90 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL16302979 0.90 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL16692146 0.90 ESR1 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12144450 0.90 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL16692234 0.89 ESR2 (0.71) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11362280-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-06-14 US disclosed
US-11342508-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2022-05-24 US disclosed
EP-2749560-B1 Novel nitrogen-containing heterocyclic compounds and organic electronic device using same LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
EP-3434670-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG Chem, Ltd. (KR) 2019-01-30 EP disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-9666812-B2 Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2017-05-30 US disclosed
US-9666812-B2 Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2017-05-30 US disclosed
US-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2015-05-07 US disclosed
US-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2015-05-07 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-20150123089-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME ODC1, OR10J3, NPM1 ESR1 63/4885ESR2 481/4885GRIA1 993/4885
US-11342508-B2 Organic light-emitting device CRY1, CRY2, NR2E3 ESR1 18/4885ESR2 126/4885GRIA1 2009/4885
US-20180175302-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, NR2E3 ESR1 18/4885ESR2 126/4885GRIA1 2009/4885
US-11362280-B2 Organic light-emitting device CRY1, CRY2, NR2E3 ESR1 18/4885ESR2 126/4885GRIA1 2009/4885

“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.