SCHEMBL20809028

SCHEMBL20809028

c1ccc(-c2ccc3cc(C4CCCCC4)ccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.60
DHODH Q02127 1/20 0.51
HRH3 Q9Y5N1 2/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA2A P29274 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSMB5 P28074 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
IGF1R P08069 2/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 3/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL20809362 0.98 BACE1 (0.57) BACE1DHODHHRH3MAOAMAOB
SCHEMBL20809058 0.90 DHODH (0.52) BACE1DHODHHRH3ADORA1ADORA3
SCHEMBL20809297 0.88 DHODH (0.50) BACE1DHODHADORA1ADORA3ADORA2B
SCHEMBL20809026 0.85 BACE1 (0.53) BACE1DHODHHRH3PSMB5CASP3
SCHEMBL20809307 0.83 BACE1 (0.51) BACE1DHODHHRH3PSMB5CASP3
SCHEMBL20809057 0.83 BACE1 (0.57) BACE1DHODHHRH3PSMB5ESR1
SCHEMBL30847730 0.82 DHODH (0.56) BACE1DHODHL3MBTL1CYP3A4CASP3
SCHEMBL20809309 0.81 BACE1 (0.55) BACE1DHODHHRH3PSMB5ESR1
SCHEMBL20783886 0.77 DHODH (0.42) DHODHMAOBADORA1ADORA3ADORA2B
SCHEMBL3971869 0.75 BACE1 (0.71) BACE1HRH3PSMB5KCNH2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382935-A1 COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE BEIJING GREEN GUARDEE TECHNOLOGY CO., LTD. (CN) 2023-11-30 US disclosed
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-23 US disclosed
US-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-04-04 US disclosed
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-03-14 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 (4 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-20190103574-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING CYCLOALKYL ANCILLARY LIGANDS ACAT1, ACACA, ACAT2 BACE1 3381/4885DHODH 3548/4885HRH3 3599/4885
US-10957869-B2 Organic luminescent materials containing cycloalkyl ancillary ligands ACAT1, ACACA, ACAT2 BACE1 3381/4885DHODH 3548/4885HRH3 3599/4885
US-20190077818-A1 ORGANIC LUMINESCENT MATERIALS CONTAINING FLUORINE ANCILLARY LIGANDS FOXO1, NAA15, FOXK1 BACE1 3964/4885DHODH 2970/4885HRH3 3421/4885
US-20230382935-A1 COMPOUND CONTAINING 1,3-DIKETONE LIGAND AND APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE TLK1, TLK2, PDK3 BACE1 4268/4885DHODH 887/4885HRH3 2501/4885

“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.