SCHEMBL30021733

SCHEMBL30021733

Cc1cccc(-c2nccc3ccccc23)c1F.Cc1cccc(-c2nccc3ccccc23)c1F.[Ir+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 6/20 0.43
BCHE P06276 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAOA P21397 1/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL14341092 0.98 CYP2A6 (0.47) CYP2A6ALDH1A1BCHENPC1RAB9A
SCHEMBL3648742 0.84 CYP2A6 (0.55) CYP2A6ALDH1A1BCHENPC1RAB9A
SCHEMBL28013666 0.83 BCHE (0.43) CYP2A6ALDH1A1BCHENPC1RAB9A
SCHEMBL11976464 0.83 CYP2A6 (0.50) CYP2A6ALDH1A1BCHENPC1RAB9A
Hydrochloric Acid SCHEMBL3320131 0.82 CYP2A6 (0.53) CYP2A6ALDH1A1BCHENPC1RAB9A
SCHEMBL14341090 0.81 CYP1A2 (0.47) CYP2A6ALDH1A1RAB9AMAPTKDM4E
SCHEMBL30332338 0.80 BCHE (0.57) CYP2A6ALDH1A1BCHENPC1RAB9A
SCHEMBL30332586 0.80 BCHE (0.57) CYP2A6ALDH1A1BCHENPC1RAB9A
SCHEMBL29986326 0.79 ALDH1A1 (0.39) CYP2A6ALDH1A1NPC1L3MBTL1CYP1A2
SCHEMBL15856404 0.78 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4EMAOACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240407244-A1 MIXED POWDER FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD FOR PRODUCING THE SAME, METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE BY USING THE MIXED POWDER, METHOD FOR SELECTING COMPOUNDS IN THE MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION IDEMITSU KOSAN CO.,LTD. (JP) 2024-12-05 US disclosed
US-20240334814-A1 MIXED POWDER, MIXTURE, AND METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2024-10-03 US disclosed
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 WO disclosed
US-20230001447-A1 MIXED POWDER, METHOD OF VAPOR-DEPOSITING ORGANIC COMPOUND, METHOD OF FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE, METHOD OF SELECTING ORGANIC COMPOUNDS, AND METHOD OF VAPOR-DEPOSITING IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-05 US disclosed
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 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-20240334814-A1 MIXED POWDER, MIXTURE, AND METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE EML4, ORC3, ZRANB2 CYP2A6 4258/4885ALDH1A1 3661/4885BCHE 2875/4885

“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.