SCHEMBL21732477

SCHEMBL21732477

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
CHEK2 O96017 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
PLA2G10 O15496 1/20 0.32
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPK1 P28482 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL21732536 0.95 ALDH1A1 (0.32) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL20619080 0.88 AHR (0.31) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL21732481 0.87 TSHR (0.34) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL22510736 0.87 TSHR (0.35) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL21732551 0.87 TSHR (0.35) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL21732486 0.86 ALDH1A1 (0.37) ALDH1A1HPGDCHEK2PLA2G2APLA2G4A
SCHEMBL21732478 0.86 ALDH1A1 (0.35) ALDH1A1HPGDCHEK2PLA2G2APLA2G4A
SCHEMBL23604004 0.86 KMT2A (0.32) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL21732780 0.86 ADORA3 (0.32) KMT2AMAPTMEN1KDM4ESMN1; SMN2
SCHEMBL19299059 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053934-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-02-25 US disclosed
WO-2020036314-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-02-20 WO 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 (1 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-20210053934-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME AOX1, CRY1, ALDH1A2 ALDH1A1 5/4885HPGD 2884/4885CHEK2 2353/4885

“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.