SCHEMBL21677705

SCHEMBL21677705

c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.40
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.34
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
AGTR1 P30556 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
NPY5R Q15761 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL20619783 0.97 PDK2 (0.38) PDK2BACE1CTSDNPC1PKM
SCHEMBL21677492 0.96 PDK2 (0.35) PDK2BACE1CTSDNPC1PKM
SCHEMBL20619348 0.95 PDK2 (0.35) PDK2BACE1CTSDNPC1PKM
SCHEMBL19298501 0.93 PDK2 (0.39) PDK2BACE1CTSDNPC1PKM
SCHEMBL21677730 0.91 PDK2 (0.37) PDK2BACE1CTSDNPC1PKM
SCHEMBL21677706 0.91 BACE1 (0.34) PDK2BACE1CTSDNPC1PKM
SCHEMBL21677661 0.89 PDK2 (0.34) PDK2BACE1CTSDNPC1PKM
SCHEMBL23814768 0.89 ADORA1 (0.36) BACE1CTSDSMN1; SMN2MAPTAGTR1
SCHEMBL14278968 0.89 PDK2 (0.47) PDK2BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL12332626 0.89 PDK2 (0.47) PDK2BACE1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2812/4885BACE1 616/4885CTSD 3305/4885
US-11094889-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 PDK2 2812/4885BACE1 616/4885CTSD 3305/4885

“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.