SCHEMBL21116213

SCHEMBL21116213

Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4ccc(-n5c6cc(-c7ccccc7C)ccc6c6ccc(-c7ccccc7C)cc65)cc4C#N)c(C#N)c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR3C1 P04150 2/20 0.37
PGR P06401 2/20 0.37
TSHR P16473 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
TRPA1 O75762 1/20 0.35
IMPDH2 P12268 1/20 0.34
XDH P47989 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL21116216 0.96 AR (0.44) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21116215 0.90 AR (0.47) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21131398 0.90 AR (0.50) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21116214 0.89 AR (0.44) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20114709 0.89 AR (0.40) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21116369 0.87 LMNA (0.37) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21116368 0.87 ALDH1A1 (0.39) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21131397 0.86 AR (0.47) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL20114706 0.86 AR (0.38) ARALDH1A1LMNAHPGDMAPK1
SCHEMBL21116428 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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-11271174-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2022-03-08 US disclosed
US-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, NOX3 AR 992/4885ALDH1A1 2170/4885LMNA 2745/4885
US-11271174-B2 Organic molecules for use in organic optoelectronic devices OR10J3, ORC3, NOX3 AR 857/4885ALDH1A1 2201/4885LMNA 2311/4885

“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.