SCHEMBL22880245

SCHEMBL22880245

c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4c6ccccc6sc54)cc3)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CYP1A2 P05177 2/20 0.39
F9 P00740 1/20 0.38
ALOX5 P09917 1/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL22880205 0.92 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2F9ALOX5
SCHEMBL22880015 0.88 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2ALOX5ATM
SCHEMBL22880121 0.88 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2ALOX5ATM
SCHEMBL22880492 0.87 ALOX5 (0.36) CYP1A1CYP1B1CYP1A2F9ALOX5
SCHEMBL22879894 0.87 CYP1A1 (0.40) CYP1A1CYP1B1CYP1A2ALOX5ATM
SCHEMBL22880519 0.86 MEN1 (0.53) CYP1A1CYP1B1CYP1A2F9ALOX5
SCHEMBL22880248 0.84 ALOX5 (0.48) CYP1A1CYP1B1F9ALOX5ATM
SCHEMBL22097113 0.84 ALOX5 (0.42) CYP1A1CYP1B1CYP1A2F9ALOX5
SCHEMBL19758411 0.83 MEN1 (0.44) ALOX5ATMMEN1KMT2AMAPT
SCHEMBL19758394 0.83 MEN1 (0.43) ALOX5ATMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230345827-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-26 US disclosed
US-20230345827-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-26 US disclosed
US-11793075-B2 Plurality of host materials and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-17 US disclosed
US-11793075-B2 Plurality of host materials and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-17 US disclosed
US-20230126428-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-04-27 US disclosed
US-20230126428-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-04-27 US disclosed
US-11552257-B2 Plurality of host materials and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-01-10 US disclosed
US-20220131081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-04-28 US disclosed
US-20210028373-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-01-28 US disclosed
US-20210020849-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-21 US disclosed
US-20210013427-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-14 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-20210028373-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, LIMS1 CYP1A1 3228/4885CYP1B1 2780/4885CYP1A2 2676/4885
US-20220131081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME LEF1, ODC1, TMEM109 CYP1A1 526/4885CYP1B1 560/4885CYP1A2 1139/4885

“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.