SCHEMBL30709381

SCHEMBL30709381

c1ccc(-c2cc(-c3cc(-c4ccccc4-c4c(-n5c6ccccc6c6cnccc65)c(-n5c6ccccc6c6ncccc65)nc(-n5c6ccccc6c6ncccc65)c4-n4c5ccccc5c5ncccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)n3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.34
CYP19A1 P11511 1/20 0.33
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
ACHE P22303 1/20 0.31
ALOX5 P09917 1/20 0.31
TNF P01375 1/20 0.31
CDC7 O00311 1/20 0.30
CDK2 P24941 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
SCHEMBL30709385 0.92 TOP1 (0.40) TOP1CYP19A1
SCHEMBL22148812 0.89 MAPK14 (0.37) MAOAMAOBACHECDC7CDK2
SCHEMBL22148726 0.86 TOP1 (0.34) TOP1
SCHEMBL22148529 0.83 TOP1 (0.40) TOP1
SCHEMBL30709206 0.83 MAOA (0.36) CYP19A1MAOAMAOBACHEALOX5
SCHEMBL22148917 0.83 MAOA (0.36) CYP19A1MAOAMAOBACHEALOX5
SCHEMBL22148660 0.83 MAOA (0.36) CYP19A1MAOAMAOBACHEALOX5
SCHEMBL30709686 0.83 MAPK14 (0.40)
SCHEMBL22148776 0.83 SMN1; SMN2 (0.35) CYP19A1ACHEALOX5
SCHEMBL30709490 0.83 SMN1; SMN2 (0.35) CYP19A1ACHEALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 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 (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-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 TOP1 2727/4885CYP19A1 457/4885MAOA 120/4885

“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.