SCHEMBL21176145

SCHEMBL21176145

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc2-c2ccc3cc(-c4ccc5ccc6cccc7ccc4c5c67)ccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
PDK2 Q15119 8/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL29511993 0.90 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29516969 0.90 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3705199 0.90 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3693920 0.90 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17008148 0.86 HSD17B1 (0.39) CYP1A2PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL21190459 0.86 PDK2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18929824 0.84 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL27545245 0.82 CYP1A2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL23098389 0.81 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12203352 0.80 ERBB2 (0.33) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11139438-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-20190280209-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-09-12 US disclosed
US-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-07-25 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-20190229277-A1 ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, NFE2L2, ESR2 CYP1A2 293/4885ERBB2 817/4885FYN 1922/4885
US-11139438-B2 Organic electroluminescent element ELP1, NFE2L2, ESR2 CYP1A2 293/4885ERBB2 817/4885FYN 1922/4885

“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.