SCHEMBL21116211

SCHEMBL21116211

N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)ccc1-c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6ccc(-c7ccc(-n8c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)cc7C#N)c(C#N)c6)ccc54)ccc32)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IMPDH2 P12268 1/20 0.36
NR3C1 P04150 1/20 0.34
EDNRB P24530 1/20 0.32
EDNRA P25101 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
SCHEMBL21116207 0.95 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116160 0.94 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116205 0.90 ALDH1A1 (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19062206 0.90 KDM4E (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116174 0.89 AR (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17772262 0.89 ALDH1A1 (0.51) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL23348268 0.88 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116214 0.87 AR (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17483295 0.87 KDM4E (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116429 0.86 ALDH1A1 (0.47) 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 ALDH1A1 2170/4885LMNA 2745/4885HPGD 3190/4885
US-11271174-B2 Organic molecules for use in organic optoelectronic devices OR10J3, ORC3, NOX3 ALDH1A1 2201/4885LMNA 2311/4885HPGD 2857/4885

“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.