SCHEMBL21423213

SCHEMBL21423213

c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c3c3c5c(cc6ccccc6c5ccc32)-c2ccccc2-4)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 8/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.33
HTT P42858 1/20 0.32
PDE10A Q9Y233 2/20 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
SCHEMBL22825000 0.93 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL23030473 0.88 L3MBTL1 (0.38) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL22925321 0.87 HSD17B10 (0.38) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL21366646 0.86 HSD17B10 (0.37) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL21423245 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL21366912 0.86 HSD17B10 (0.40) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL22257278 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL22257320 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL24741353 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1HSD17B10CASP1HPGD
SCHEMBL22257627 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1HSD17B10CASP1HPGD

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-11387417-B2 Organic electroluminescent device ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-07-12 US disclosed
US-11302874-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-04-12 US disclosed
US-20210399231-A1 ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-12-23 US disclosed
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-02-11 US disclosed
US-20210028369-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-28 US disclosed
US-20200235307-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-07-23 US disclosed
WO-2019190149-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-03 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 (4 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-11387417-B2 Organic electroluminescent device L3MBTL4, SLC39A14, CTCF ALDH1A1 1852/4885L3MBTL1 7/4885HSD17B10 1537/4885
US-20210028369-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LIMS1, TERT, TELO2 ALDH1A1 3470/4885L3MBTL1 114/4885HSD17B10 4568/4885
US-11302874-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ELAVL1, ICOSLG, ELAVL3 ALDH1A1 1268/4885L3MBTL1 53/4885HSD17B10 3031/4885
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LIMS1, TERT, TELO2 ALDH1A1 2791/4885L3MBTL1 71/4885HSD17B10 4568/4885

“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.