SCHEMBL21786685

SCHEMBL21786685

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
NR1H4 Q96RI1 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21786800 0.89 EPHX1 (0.44) EPHX1GAASMN1; SMN2RAB9ANR1H4
SCHEMBL24539765 0.88 EPHX1 (0.54) EPHX1GAASMN1; SMN2RAB9AMMP2
SCHEMBL19429723 0.86 EPHX1 (0.44) EPHX1GAASMN1; SMN2RAB9AMMP2
SCHEMBL16690968 0.84 EPHX1 (0.54) EPHX1GAAALDH1A1MAPT
SCHEMBL22009225 0.83 EPHX1 (0.44) EPHX1GAARAB9ANR1H4ALDH1A1
SCHEMBL26935459 0.82 EPHX1 (0.43) EPHX1GAANR1H4CYP2C9CYP2C19
SCHEMBL29356714 0.82 EPHX1 (0.47) EPHX1GAASMN1; SMN2ALDH1A1
SCHEMBL21659567 0.81 SMN1; SMN2 (0.40) EPHX1GAASMN1; SMN2RAB9AMMP2
SCHEMBL24263885 0.81 GAA (0.58) EPHX1GAA
SCHEMBL21261851 0.81 EPHX1 (0.46) EPHX1GAASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-25 US disclosed
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20230028388-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
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 (4 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-20230028388-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS RNGTT, POLRMT, MTR EPHX1 2941/4885GAA 4419/4885SMN1; SMN2 4326/4885
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT EPHX1 2734/4885GAA 1073/4885SMN1; SMN2 1484/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 EPHX1 2524/4885GAA 1091/4885SMN1; SMN2 1568/4885
US-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS POLRMT, RNGTT, MTR EPHX1 3289/4885GAA 4395/4885SMN1; SMN2 4165/4885

“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.