SCHEMBL21787128

SCHEMBL21787128

CCCCCCC(CC)CCNC(=O)C(C)(C)CCOC(C)(C)CCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
CNR1 P21554 1/20 0.36
RRM1 P23921 1/20 0.35
CYP3A4 P08684 2/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
EPHX1 P07099 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TLR2 O60603 6/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACAT1 P24752 1/20 0.32

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
SCHEMBL25850579 0.77 ANPEP (0.31)
SCHEMBL19366678 0.75 ACHE (0.40) CNR1EPHX1
SCHEMBL25850558 0.74
SCHEMBL22923596 0.74 CASP2 (0.55) CNR1EPHX1MAPT
SCHEMBL24418967 0.74 SIRT6 (0.32) SIRT6SIRT1
SCHEMBL25083081 0.73 EPHX1 (0.39) GNAI3GNAO1GNAI1CNR1RRM1
SCHEMBL18736552 0.72
SCHEMBL25082890 0.72 EPHX1 (0.38) GNAI3GNAO1GNAI1CNR1SIRT6
SCHEMBL27268745 0.72 SIRT6 (0.31) SIRT6SIRT1
SCHEMBL22923591 0.71 CASP2 (0.41) CNR1EPHX1MAPT

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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT GNAI3 1357/4885GNAO1 1623/4885GNAI1 1588/4885

“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.