SCHEMBL16716611

SCHEMBL16716611

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc5c4)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.51
HSD17B2 P37059 3/20 0.51
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 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

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
SCHEMBL17754448 1.00 HSD17B1 (0.51) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL17754450 0.97 HSD17B1 (0.49) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL23633475 0.97 HSD17B1 (0.47) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL27455958 0.97 HSD17B1 (0.47) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL27455831 0.95 CA12 (0.48) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL23633512 0.95 HSD17B1 (0.49) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL18965493 0.95 HSD17B1 (0.49) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL17655845 0.94 MEN1 (0.54) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL23633698 0.94 HSD17B1 (0.47) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL17655913 0.94 MEN1 (0.54) HSD17B1HSD17B2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 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
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-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 (2 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 HSD17B1 3033/4885HSD17B2 1687/4885CA12 1040/4885
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 HSD17B1 3033/4885HSD17B2 1687/4885CA12 1040/4885

“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.