SCHEMBL804581

SCHEMBL804581

CCOOCc1ccc2c(C3CCCCC3)c(-c3ccc(OCOC)cc3OCOC)n(CCO)c2n1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13886764 0.94 LMNA (0.31) LMNAMAPT
SCHEMBL792767 0.92 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL804689 0.90 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL13285979 0.85 MEN1 (0.32) LMNA
SCHEMBL773233 0.85 FAAH (0.35) LMNAMAPTALDH1A1
SCHEMBL792766 0.80 TLR9 (0.34) ALDH1A1NPSR1
SCHEMBL14607030 0.77 FAAH (0.34) ALDH1A1NPSR1
SCHEMBL771452 0.76 KIT (0.35)
SCHEMBL792768 0.73 TYR (0.36) LMNA
SCHEMBL772139 0.68 LMNA (0.41) LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LMNA 4323/4885MAPT 3389/4885ALDH1A1 750/4885

“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.