SCHEMBL21554005

SCHEMBL21554005

CCCCC(C)(CCC)c1cncc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CNR2 P34972 2/20 0.33
TLR8 Q9NR97 1/20 0.32
CNR1 P21554 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL18517108 0.86 HCAR2 (0.32) ESR1ESR2HCAR2
SCHEMBL19633737 0.85 CNR2 (0.38) ESR1ESR2CNR2CNR1
SCHEMBL19633847 0.85 CNR2 (0.38) ESR1ESR2CNR2CNR1
SCHEMBL22752359 0.82 TLR8 (0.35) ESR1ESR2TLR8
SCHEMBL22752554 0.82 KDM4E (0.36) HCAR2
SCHEMBL22752535 0.82 TLR8 (0.33) TLR8
SCHEMBL18516838 0.79 CNR2 (0.36) ESR1ESR2CNR2CNR1HCAR2
SCHEMBL22169010 0.79 CYP19A1 (0.36) ESR1ESR2
SCHEMBL18856535 0.78 SCN5A (0.35) CNR2TLR8CNR1
SCHEMBL23142669 0.77 CNR2 (0.37) ESR1ESR2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 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-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ESR1 4844/4885ESR2 4812/4885CNR2 3539/4885

“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.