SCHEMBL3091689

SCHEMBL3091689

COC(=O)NCC(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
EPHX1 P07099 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRMT3 O60678 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL923552 0.82 EPHX1 (0.54) EPHX2EPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL23384656 0.81 ALDH1A1 (0.34) EPHX2EPHX1HSD17B10KMT2A
SCHEMBL23366831 0.80 EPHX1 (0.51) EPHX1SMN1; SMN2HSD17B10HDAC6KMT2A
SCHEMBL21232394 0.80 EPHX1 (0.42) EPHX2EPHX1SMN1; SMN2HSD17B10NAAA
SCHEMBL8231996 0.78 EPHX1 (0.61) EPHX1SMN1; SMN2HSD17B10NAAANPSR1
SCHEMBL784986 0.78 CYP2D6 (0.44) EPHX2EPHX1SMN1; SMN2HSD17B10NAAA
SCHEMBL29618895 0.77 BTK (0.50) EPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL24337161 0.75 CES2 (0.44) EPHX2EPHX1SMN1; SMN2HSD17B10NAAA
SCHEMBL23354173 0.75 CYP2D6 (0.41) EPHX2EPHX1SMN1; SMN2HSD17B10NAAA
SCHEMBL14932795 0.75 CES2 (0.44) EPHX2EPHX1SMN1; SMN2HSD17B10NAAA

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
EP-1650185-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2013-05-01 EP disclosed
US-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed
US-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-07-27 US disclosed
EP-1650185-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2006-04-26 EP 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-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative ALDH7A1, HCAR1, ALAD EPHX2 308/4885EPHX1 494/4885SMN1; SMN2 3508/4885

“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.