SCHEMBL21786800

SCHEMBL21786800

CC(S)CCNC(=O)OC1CC/C=C/CCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
GAA P10253 2/20 0.36
NR1H4 Q96RI1 3/20 0.36
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 2/20 0.31
NAAA Q02083 2/20 0.31
ACHE P22303 1/20 0.30
BCHE P06276 1/20 0.30
IDO1 P14902 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
SCHEMBL21786685 0.89 EPHX1 (0.46) EPHX1GAANR1H4CYP3A4CYP2C19
SCHEMBL16690968 0.81 EPHX1 (0.54) EPHX1GAANAAAACHEBCHE
SCHEMBL22009225 0.81 EPHX1 (0.44) EPHX1GAANR1H4TSHRBRD4
SCHEMBL26935459 0.80 EPHX1 (0.43) EPHX1GAANR1H4HDAC4HDAC1
SCHEMBL29356714 0.80 EPHX1 (0.47) EPHX1GAAHDAC1TSHRBRD4
SCHEMBL24263885 0.79 GAA (0.58) EPHX1GAANAAAACHEBCHE
SCHEMBL21261851 0.79 EPHX1 (0.46) EPHX1GAAHDAC1BRD4SMN1; SMN2
SCHEMBL27076459 0.79 EPHX1 (0.46) EPHX1GAAHDAC4HDAC1BRD4
SCHEMBL27076413 0.79 EPHX1 (0.46) EPHX1GAAHDAC4HDAC1BRD4
SCHEMBL19962463 0.78 EPHX1 (0.72) EPHX1GAAHDAC1CYP3A4SMN1; SMN2

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 EPHX1 2734/4885GAA 1073/4885NR1H4 3101/4885

“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.