SCHEMBL2741458

SCHEMBL2741458

c1ccc2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)nc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)cccc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
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
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2741455 0.92 ERBB2 (0.37) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2741434 0.90 ERBB2 (0.33) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2741448 0.89 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL2741456 0.88 KDM4E (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL13466023 0.88
SCHEMBL2741459 0.86 ERBB2 (0.33) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2741457 0.86 KDM4E (0.37) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2741446 0.85 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL2741438 0.85 ERBB2 (0.33) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL2741452 0.84 DUSP3 (0.34) TDP1ALDH1A1

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
EP-4039774-B1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-09-20 EP disclosed
US-20150166886-A1 FLUORESCENCE AND DELAYED FLUORESCENCE-TYPE ORGANIC LIGHT-EMITTING MATERIAL AND ELEMENT KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-06-18 US disclosed
US-20150166886-A1 FLUORESCENCE AND DELAYED FLUORESCENCE-TYPE ORGANIC LIGHT-EMITTING MATERIAL AND ELEMENT KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-06-18 US disclosed
US-8993129-B2 Fluorescence and delayed fluorescence-type organic light-emitting material and element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993129-B2 Fluorescence and delayed fluorescence-type organic light-emitting material and element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8962158-B2 Material having indolocarbazole compound for phosphorescent light-emitting element and organic electroluminescent element using the same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2015-02-24 US disclosed
US-8962158-B2 Material having indolocarbazole compound for phosphorescent light-emitting element and organic electroluminescent element using the same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2015-02-24 US disclosed
US-20120241732-A1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2012-09-27 US disclosed
US-20120241732-A1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2012-09-27 US disclosed
US-20120001165-A1 MATERIAL FOR PHOSPHORESCENT LIGHT-EMITTING ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2012-01-05 US disclosed
US-20120001165-A1 MATERIAL FOR PHOSPHORESCENT LIGHT-EMITTING ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2012-01-05 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-20150166886-A1 FLUORESCENCE AND DELAYED FLUORESCENCE-TYPE ORGANIC LIGHT-EMITTING MATERIAL AND ELEMENT LEF1, EML4, TEAD1 ERBB2 3743/4885CYP1A2 764/4885FYN 3047/4885
US-20120001165-A1 MATERIAL FOR PHOSPHORESCENT LIGHT-EMITTING ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME LEF1, ELOC, ELP1 ERBB2 4427/4885CYP1A2 1445/4885FYN 3094/4885

“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.