SCHEMBL20174479

SCHEMBL20174479

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4cccc5c4-c4sc6ccccc6c4C54c5ccccc5-c5ccccc54)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
HSP90AA1 P07900 1/20 0.32
ALOX5 P09917 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL20174452 0.92 L3MBTL1 (0.34) L3MBTL1HSP90AA1ALOX5ADORA3ALOX15
SCHEMBL20174514 0.90 ADORA2A (0.30) ALOX5ADORA2AADORA1
SCHEMBL20174489 0.87 S1PR5 (0.37) L3MBTL1HSP90AA1ALOX5TSHR
SCHEMBL20174515 0.87 MEN1 (0.32) L3MBTL1
SCHEMBL20174505 0.87 MEN1 (0.36) L3MBTL1ALOX5ADORA2AADORA1
SCHEMBL20174471 0.87 ALOX5 (0.33) L3MBTL1ALOX5ADORA1
SCHEMBL20174539 0.86 L3MBTL1 (0.31) L3MBTL1HSP90AA1
SCHEMBL20174484 0.85 PDK2 (0.33) L3MBTL1ALOX5
SCHEMBL20174516 0.84 ALOX5 (0.33) ALOX5
SCHEMBL20174436 0.83 ALOX5 (0.34) ALOX5ADORA2AADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG L3MBTL1 2838/4885HSP90AA1 2901/4885ALOX5 2705/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG L3MBTL1 2838/4885HSP90AA1 2901/4885ALOX5 2705/4885

“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.