SCHEMBL803977

SCHEMBL803977

COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3CCOC3CCCCO3)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10283238 0.88 KDM4C (0.33) KDM4CNPC1RAB9A
SCHEMBL10283239 0.84 HTR2A (0.32)
SCHEMBL803746 0.84 HTR2A (0.32)
SCHEMBL772108 0.83 PARP1 (0.43) KDM4CNPC1RAB9A
SCHEMBL13286273 0.83 KDM4C (0.38) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL12510203 0.81 KDM4C (0.30) KDM4CNPC1RAB9A
SCHEMBL803802 0.80 BCHE (0.36)
SCHEMBL804035 0.78 HTR2A (0.34)
SCHEMBL13286189 0.76 PDE5A (0.33)
SCHEMBL804157 0.76 HTR2A (0.33)

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 KDM4C 1894/4885NPC1 1131/4885RAB9A 2410/4885

“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.