SCHEMBL16716626

SCHEMBL16716626

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
TSHR P16473 4/20 0.47
MAPK1 P28482 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TP53 P04637 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 2/20 0.46
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL16441565 0.96 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL21188078 0.96 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL17655833 0.95 ALDH1A1 (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL16441640 0.93 MEN1 (0.54) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL23759410 0.91 L3MBTL1 (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL16716524 0.90 DPP4 (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL16441648 0.90 MEN1 (0.56) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL16716608 0.90 L3MBTL1 (0.46) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL17656040 0.90 ALDH1A1 (0.46) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL23633415 0.90 TSHR (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-11588117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-02-21 US disclosed
EP-3647393-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-05-06 EP disclosed
US-9882146-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-9882146-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-9391281-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-07-12 US disclosed
US-9391281-B2 Heterocyclic compound and organic electronic element containing same LG CHEM, LTD. (KR) 2016-07-12 US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 US disclosed
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2015-06-11 US disclosed
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG CHEM, LTD. (KR) 2015-06-11 US disclosed
EP-2873667-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME LG Chem, Ltd. (KR) 2015-05-20 EP 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 (5 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-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 ALDH1A1 1098/4885HPGD 3608/4885TSHR 4539/4885
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 ALDH1A1 1092/4885HPGD 1345/4885TSHR 4540/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 ALDH1A1 1092/4885HPGD 1345/4885TSHR 4540/4885
US-11588117-B2 Materials for electronic devices EPHB3, EPHA3, EPHB4 ALDH1A1 1092/4885HPGD 1345/4885TSHR 4540/4885
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 ALDH1A1 1098/4885HPGD 3608/4885TSHR 4539/4885

“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.