SCHEMBL792768

SCHEMBL792768

CCc1ccc2c(C3CCCCC3)c(-c3ccc(O)cc3O)n(CCO)c2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 4/20 0.36
ESR1 P03372 5/20 0.35
PDE4D Q08499 3/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ADORA3 P0DMS8 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL10283230 0.90 TYR (0.33) TYRESR1LMNAMEN1POLB
SCHEMBL772139 0.83 LMNA (0.41) TYRMAPK1LMNAGAA
SCHEMBL14572878 0.83 LMNA (0.33) TYRESR1LMNA
SCHEMBL13285979 0.81 MEN1 (0.32) ESR1CNR1CNR2LMNAMEN1
SCHEMBL13886764 0.80 LMNA (0.31) LMNA
SCHEMBL792767 0.80 ALDH1A1 (0.33)
SCHEMBL792694 0.78 ESR1 (0.38) TYRESR1MAPK1CNR1CNR2
SCHEMBL792412 0.76 ESRRB (0.37) ESR1CNR1CNR2
SCHEMBL769188 0.74 ALDH1A1 (0.40) MAPK1LMNA
SCHEMBL804581 0.73 LMNA (0.30) LMNA

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 TYR 1679/4885ESR1 4467/4885PDE4D 3989/4885

“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.