SCHEMBL20206776

SCHEMBL20206776

CC(C)(C)OC(=O)NCCOCCOCCOCCNCc1c[nH]c2[nH]c(N)nc(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2A P29274 1/20 0.38
PNP P00491 1/20 0.37
ADRB2 P07550 2/20 0.37
HTR1A P08908 2/20 0.37
IL6 P05231 2/20 0.37
BCHE P06276 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDO1 P14902 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL20206648 1.00 TLR7 (0.38) TLR7ADORA1ADORA2APNPADRB2
SCHEMBL21324597 0.87 PNP (0.41) TLR7PNPADRB2HTR1AIL6
SCHEMBL20202019 0.87 PNP (0.41) TLR7PNPADRB2HTR1AIL6
SCHEMBL20202017 0.83 PNP (0.38) PNP
SCHEMBL20206650 0.82 PNP (0.36) PNP
SCHEMBL20202021 0.82 PNP (0.36) PNP
SCHEMBL24438127 0.71 MC1R (0.50) ADRB2HTR1ABCHE
SCHEMBL20202014 0.69 PNP (0.37) PNP
SCHEMBL22919730 0.69 TDP1 (0.51) ADRB2HTR1ABCHECA12CA1
SCHEMBL24916653 0.69 TDP1 (0.51) ADRB2HTR1ABCHECA12CA1

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-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 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-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS RNGTT, UNG, RNASEL TLR7 4216/4885ADORA1 2563/4885ADORA2A 2580/4885

“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.