SCHEMBL22257587

SCHEMBL22257587

c1ccc(-c2cccc(-n3c4cccc5c4c4c6c(cccc6ccc43)-c3cc4c(cc3-5)oc3ccccc34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
ALOX15 P16050 1/20 0.33
AHR P35869 2/20 0.32
KMT2A Q03164 2/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 2/20 0.31

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
SCHEMBL22257418 0.93 SIRT2 (0.36) SIRT2SIRT1PDE10AKDM4EHPGD
SCHEMBL21366622 0.92 SIRT2 (0.41) SIRT2SIRT1PDE10AKDM4EHPGD
SCHEMBL24245594 0.90 SIRT2 (0.34) SIRT2SIRT1KDM4EHPGDALDH1A1
SCHEMBL23960958 0.90 HCRTR1 (0.34) SIRT2SIRT1PDE10AKDM4EHPGD
SCHEMBL22257411 0.88 SIRT2 (0.34) SIRT2SIRT1KDM4EHPGDALDH1A1
SCHEMBL24245697 0.88 SIRT2 (0.35) SIRT2SIRT1KDM4EHPGDALDH1A1
SCHEMBL22257554 0.87 SIRT2 (0.36) SIRT2SIRT1KDM4EHPGDALDH1A1
SCHEMBL21366644 0.86 TP53 (0.32) SIRT2SIRT1HPGDALDH1A1TSHR
SCHEMBL23287829 0.84 TP53 (0.34) SIRT2SIRT1PDE10AALDH1A1L3MBTL1
SCHEMBL21366727 0.84 PTGER4 (0.37) KDM4EHPGDALDH1A1MAPTTSHR

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 6 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

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 SIRT2 1322/4885SIRT1 2537/4885PDE10A 4412/4885
US-20210028369-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LIMS1, TERT, TELO2 SIRT2 2966/4885SIRT1 3284/4885PDE10A 3140/4885
US-11302874-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ELAVL1, ICOSLG, ELAVL3 SIRT2 126/4885SIRT1 285/4885PDE10A 3315/4885
US-20210043848-A1 COMPOSITION MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LIMS1, TERT, TELO2 SIRT2 2567/4885SIRT1 2827/4885PDE10A 3303/4885

“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.