SCHEMBL21886414

SCHEMBL21886414

c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4cccc5cccc(c45)-c4ccccc43)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ATM Q13315 2/20 0.44
PDE6D O43924 1/20 0.43
HPGD P15428 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MGLL Q99685 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL24254032 0.97 PDE6D (0.48) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24253884 0.97 PDE6D (0.48) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL22945688 0.95 PDE6D (0.49) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24254033 0.93 PDE6D (0.42) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL22946055 0.92 PDE6D (0.54) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24254089 0.90 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24254012 0.88 PDE6D (0.55) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24253978 0.86 PDE6D (0.44) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24253881 0.85 PDE6D (0.41) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10
SCHEMBL24254086 0.85 PDE6D (0.43) ALDH1A1TSHRL3MBTL1MAPK1HSD17B10

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-20220052272-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-17 US disclosed
WO-2020055113-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-03-19 WO 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-20220052272-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TMEM109, OR10J3, LEF1 ALDH1A1 103/4885TSHR 4677/4885L3MBTL1 1429/4885

“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.