SCHEMBL16716628

SCHEMBL16716628

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17655890 1.00 TNF (0.49) TNFCA12CA1CA2CA9
SCHEMBL23633642 0.97 TNF (0.46) TNFCA12CA1CA2CA9
SCHEMBL17655923 0.97 TNF (0.46) TNFCA12CA1CA2CA9
SCHEMBL23633500 0.95 TNF (0.50) TNFCA12CA1CA2CA9
SCHEMBL17655814 0.94 CA12 (0.50) TNFCA12CA1CA2CA9
SCHEMBL17655973 0.94 ALDH1A1 (0.45) TNFCA12CA1CA2CA9
SCHEMBL17655844 0.94 MEN1 (0.54) TNFCA12CA1CA2CA9
SCHEMBL27455921 0.94 ALDH1A1 (0.45) TNFCA12CA1CA2CA9
SCHEMBL17655873 0.94 MEN1 (0.54) TNFCA12CA1CA2CA9
SCHEMBL27455785 0.94 CA12 (0.50) TNFCA12CA1CA2CA9

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-20220165957-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-05-26 US disclosed
US-10454056-B1 Organic light emitting device LG CHEM, LTD. (KR) 2019-10-22 US disclosed
US-20190312223-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-10-10 US disclosed
EP-3477720-A1 ORGANIC LIGHT EMITTING ELEMENT LG Chem, Ltd. (KR) 2019-05-01 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-20170279055-A1 ORGANIC ELECTROLUMINESCENCE DEVICE LM CHEM, LTD. (KR) 2017-09-28 US disclosed
US-20170279055-A1 ORGANIC ELECTROLUMINESCENCE DEVICE LM CHEM, LTD. (KR) 2017-09-28 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-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 (3 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-20170279055-A1 ORGANIC ELECTROLUMINESCENCE DEVICE DCX, SLC25A21, EML4 TNF 4664/4885CA12 2364/4885CA1 3112/4885
US-20160218298-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 TNF 4226/4885CA12 1040/4885CA1 2457/4885
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 TNF 4226/4885CA12 1040/4885CA1 2457/4885

“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.