SCHEMBL16716596

SCHEMBL16716596

Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(C)cc8)n7)cc6)c45)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
ALDH1A1 P00352 4/20 0.47
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
DPP4 P27487 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL16716573 0.95 ALDH1A1 (0.46) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL16716608 0.92 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL16716533 0.91 ALDH1A1 (0.50) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL17655896 0.89 ALDH1A1 (0.48) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL16785869 0.89 KIF11 (0.45) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL16785873 0.88 ALDH1A1 (0.41) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL17853065 0.87 ALDH1A1 (0.46) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL16716637 0.87 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL27455783 0.86 ALDH1A1 (0.45) L3MBTL1NPC1RAB9AALDH1A1NFKB1
SCHEMBL23633544 0.85 ALDH1A1 (0.48) L3MBTL1NPC1RAB9AALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 1232/4885NPC1 2492/4885RAB9A 3051/4885
US-20150162543-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT CONTAINING SAME ESR1, ERCC1, NFE2L2 L3MBTL1 1232/4885NPC1 2492/4885RAB9A 3051/4885

“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.