SCHEMBL23448041

SCHEMBL23448041

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.34
CYP11B1 P15538 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 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
SCHEMBL23448029 1.00 PDK2 (0.34) PDK2CYP11B1ALDH1A1HPGDTSHR
SCHEMBL24221817 0.98 CYP11B1 (0.33) PDK2CYP11B1ALDH1A1HPGDTSHR
SCHEMBL10034352 0.97 PDK2 (0.37) PDK2CYP11B1ALDH1A1HPGDGPR84
SCHEMBL10034349 0.97 PDK2 (0.37) PDK2CYP11B1ALDH1A1HPGDGPR84
SCHEMBL23626502 0.96 PDK2 (0.33) PDK2CYP11B1ALDH1A1HPGDTSHR
SCHEMBL10034306 0.95 CYP11B1 (0.35) PDK2CYP11B1ALDH1A1HPGDTSHR
SCHEMBL10034296 0.95 CYP11B1 (0.35) PDK2CYP11B1ALDH1A1HPGDTSHR
SCHEMBL10034303 0.95 CYP11B1 (0.35) PDK2CYP11B1ALDH1A1HPGDTSHR
SCHEMBL23239391 0.95 CA12 (0.37) PDK2CYP11B1ALDH1A1HPGDMCL1
SCHEMBL22669961 0.94 PDK2 (0.33) PDK2CYP11B1ALDH1A1HPGDTSHR

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-20230002420-A1 ORGANIC LIGHT-EMITTING ELEMENT LG CHEM, LTD. (KR) 2023-01-05 US disclosed
WO-2021107737-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-06-03 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 (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-20230002420-A1 ORGANIC LIGHT-EMITTING ELEMENT CYBA, CRY1, CYP1A1 PDK2 3707/4885CYP11B1 213/4885ALDH1A1 94/4885

“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.