SCHEMBL21677976

SCHEMBL21677976

c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)cc3)nn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.36
ENPP3 O14638 1/20 0.34
BACE1 P56817 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAOB P27338 1/20 0.30
AGTR1 P30556 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
PBRM1 Q86U86 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL19299281 0.95 BACE1 (0.32) PDK2BACE1NPC1MAPTPKM
SCHEMBL21677689 0.93 SMARCA2 (0.33) PDK2ENPP3BACE1NPC1MAPT
SCHEMBL21677479 0.91 BACE1 (0.31) BACE1NPC1MAPTPKMMAOB
SCHEMBL20619783 0.89 PDK2 (0.38) PDK2ENPP3BACE1NPC1MAPT
SCHEMBL19298386 0.89 NPC1 (0.33) NPC1MAPTPKMMAOBAGTR1
SCHEMBL20619115 0.88 MAPT (0.37) PDK2ENPP3BACE1MAPTAGTR1
SCHEMBL21677730 0.88 PDK2 (0.37) PDK2ENPP3BACE1NPC1MAPT
SCHEMBL21677848 0.87 MEN1 (0.40) PDK2ENPP3BACE1MAPTMAOB
SCHEMBL21677525 0.87 MAPT (0.38) PDK2ENPP3BACE1MAPTMAOB
SCHEMBL21677470 0.87 MAPT (0.38) PDK2ENPP3BACE1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-11152576-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-10-19 US disclosed
US-20210288264-A1 Heterocyclic Compound And Organic Light Emitting Element Comprising Same LG CHEM, LTD. (KR) 2021-09-16 US disclosed
US-11094889-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. 2021-08-17 US disclosed
US-20210013422-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 US disclosed
US-20200365814-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-11-19 US disclosed
US-20200035930-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-01-30 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 (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-20210288264-A1 Heterocyclic Compound And Organic Light Emitting Element Comprising Same CRY1, CRY2, PER2 PDK2 2812/4885ENPP3 2206/4885BACE1 616/4885
US-11094889-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 PDK2 2812/4885ENPP3 2206/4885BACE1 616/4885

“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.