SCHEMBL21758985

SCHEMBL21758985

CCCC(C)OCCOCCOCCOCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CTSK P43235 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CTSS P25774 1/20 0.31
CYP2D6 P10635 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL21758961 0.88 CYP2D6 (0.32) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18521827 0.83 CTSK (0.34) CTSKCA12CA1CA2CA14
SCHEMBL18510378 0.82 CYP2D6 (0.34) EPHX2CA1CA2CYP2D6TLR2
SCHEMBL14534575 0.81 CTSK (0.43) EPHX2CTSKCA1CA2CTSS
SCHEMBL15688124 0.81 CYP2D6 (0.36) CA1CA2CYP2D6TLR2TLR1
SCHEMBL12660493 0.80 STING1 (0.34) EPHX2CTSKCA12CA1CA14
SCHEMBL12906508 0.80 STING1 (0.34) EPHX2CTSKCA12CA1CA14
SCHEMBL14728292 0.80 STING1 (0.34) EPHX2CTSKCA12CA1CA14
SCHEMBL19532911 0.80 STING1 (0.34) EPHX2CTSKCA12CA1CA14
SCHEMBL15697678 0.80 STING1 (0.34) EPHX2CTSKCA12CA1CA14

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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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-20200062798-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 EPHX2 2745/4885CTSK 3687/4885CA12 4772/4885

“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.