SCHEMBL23626863

SCHEMBL23626863

c1ccc(-n2c3cc(-n4c5ccccc5c5cccnc54)ccc3c3cccc(-c4cc5cccc6ccc7cccc4c7c65)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ FEN1 P39748 1/20 0.33
▸ PDE4A P27815 6/20 0.33
▸ PDE4B Q07343 5/20 0.33
▸ PDE4C Q08493 5/20 0.33
▸ PDE4D Q08499 5/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PSMD14 O00487 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL23626858 0.85 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL17348843 0.83 KDM4E (0.40) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL18958151 0.82 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL17348581 0.82 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL23626818 0.82 ERBB2 (0.32) ALDH1A1KDM4EERBB2CYP1A2FYN
SCHEMBL23626854 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL26082027 0.81 ACHE (0.33) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL23626717 0.81 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL23626756 0.80 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4EFEN1
SCHEMBL23626723 0.80 KDM4E (0.38) ALDH1A1TSHRCYP2C19KDM4EFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-16 — — US disclosed
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-16 — — US disclosed
US-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-05 — — US disclosed
US-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-05 — — US disclosed
WO-2021136277-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 — — 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 (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-20230312604-A1 HETEROCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC DEVICE ODC1, LEF1, PIEZO1 ALDH1A1 137/4885TSHR 3792/4885CYP2C19 29/4885
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device ODC1, LEF1, PIEZO1 ALDH1A1 137/4885TSHR 3792/4885CYP2C19 29/4885

“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.

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