SCHEMBL21758540

SCHEMBL21758540

N#Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ncccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.33
PDE4B Q07343 1/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CNR2 P34972 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL21397012 0.91 CNR2 (0.36) ARMAPTALDH1A1CNR2KDM4E
SCHEMBL21758548 0.89 HRH1 (0.41) PDE4BMAPTCNR2HRH1HTR6
SCHEMBL21758545 0.88 AR (0.34) ARALDH1A1LMNAHIF1AMAPK1
SCHEMBL21758524 0.88 PTGDR2 (0.39) PDE4BMAPTALDH1A1HRH1HTR6
SCHEMBL21758527 0.87 KDM4E (0.36) MAPTALDH1A1CNR2HRH1HTR6
SCHEMBL21758523 0.86 TRPV1 (0.39) PDE4BALDH1A1CNR2HRH1HTR6
SCHEMBL21758617 0.86 CYP1A2 (0.39) MAPTALDH1A1CNR2KDM4EKMT2A
SCHEMBL21758547 0.85 ELANE (0.34) PDE4BMAPTCNR2HRH1HTR6
SCHEMBL21758546 0.85 ELANE (0.40) ARCNR2HRH1HTR6KDM4E
SCHEMBL23368257 0.84 ELANE (0.34) PDE4BCNR2LMNAHIF1AL3MBTL1

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
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 AR 1322/4885PDE4B 4875/4885MAPT 4157/4885

“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.