SCHEMBL21116205

SCHEMBL21116205

N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)ccc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MCL1 Q07820 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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 0.96 ALDH1A1 (0.44) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL23348268 0.95 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116211 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20923617 0.89 PIK3CA (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL20155934 0.89 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17950373 0.89 ALDH1A1 (0.57) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19954135 0.89 ALDH1A1 (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116428 0.89 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116429 0.88 ALDH1A1 (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17935057 0.87 ALDH1A1 (0.56) 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.