SCHEMBL22079030

SCHEMBL22079030

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4-c4ccccc4-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ APAF1 O14727 1/20 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
SCHEMBL22078976 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL16305477 0.98 L3MBTL1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL22078975 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL30481490 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL22079661 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL22079691 0.98 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL21250652 0.96 L3MBTL1 (0.41) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL22078978 0.96 L3MBTL1 (0.41) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL13854544 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL10031194 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2

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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 — — US disclosed
US-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 — — US disclosed
US-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE TORAY INDUSTRIES, INC. (JP) 2020-06-11 — — 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-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE NR2E3, PER2, CRY2 ALDH1A1 209/4885L3MBTL1 1746/4885MAPT 956/4885
US-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, L1CAM, ESR2 ALDH1A1 449/4885L3MBTL1 148/4885MAPT 2089/4885

“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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