SCHEMBL5092971

SCHEMBL5092971

C#C/C=C/C#CCCCC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.38
TSHR P16473 1/20 0.33

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
SCHEMBL5092975 1.00 HMGCR (0.38) HMGCRTSHR
SCHEMBL5141964 0.93 HMGCR (0.44) HMGCR
SCHEMBL5141965 0.93 HMGCR (0.44) HMGCR
SCHEMBL5144650 0.80 HMGCR (0.50) HMGCRTSHR
SCHEMBL5144648 0.80 HMGCR (0.50) HMGCRTSHR
SCHEMBL6820171 0.76 HMGCR (0.33) HMGCRTSHR
SCHEMBL5094378 0.74
SCHEMBL4210293 0.74 HMGCR (0.46) HMGCRTSHR
SCHEMBL10604585 0.74
SCHEMBL5094376 0.74

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 HMGCR 1395/4885TSHR 1305/4885
US-20050004212-A1 Aryl-substituted acyclic enediyne compounds CCNI, TOP2B, TOP2A HMGCR 2769/4885TSHR 730/4885

“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.