SCHEMBL5092967

SCHEMBL5092967

N#Cc1ccccc1C#Cc1cc(C#CC=O)cc(C2CCCCO2)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL4697009 0.69 DRD2 (0.50) POLB
SCHEMBL9906430 0.65 KCNH2 (0.46) —
SCHEMBL4699085 0.64 DRD2 (0.51) POLB
SCHEMBL5094629 0.64 SLC6A3 (0.34) —
SCHEMBL787833 0.62 GSK3B (0.31) —
SCHEMBL28416 0.62 TSHR (0.54) —
SCHEMBL18215382 0.62 TSHR (0.54) —
SCHEMBL18388973 0.62 TSHR (0.54) —
SCHEMBL23235853 0.61 TSHR (0.47) —
SCHEMBL5092658 0.61 KDM4C (0.36) —

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-7332623-B2 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY (TW) 2008-02-19 — — US disclosed
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 — — US disclosed
US-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds KAOHSIUNG MEDICAL UNIVERSITY 2005-01-06 — — 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-20050004211-A1 Pharmaceutical compositions comprising aryl-substituted acyclic enediyne compounds CCNI, TOP1, TOP2B POLB 82/4885SCN9A 3045/4885HCRTR2 3553/4885
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds CCNI, TOP2B, TOP2A POLB 23/4885SCN9A 3051/4885HCRTR2 2998/4885

“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.

Send feedback