SCHEMBL4248362

SCHEMBL4248362

COC(=O)C1=C(O)C(CC2CCCCC2)NC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 5/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR0B1 P51843 1/20 0.32
EPHX2 P34913 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
SCHEMBL28560703 0.84 KDM4E (0.43) KDM4ENR0B1MMP1MMP3MMP9
SCHEMBL9867761 0.82 NR0B1 (0.35) KMT2ANR0B1MMP1MMP3MMP9
SCHEMBL4237870 0.82 NR0B1 (0.35) KMT2ANR0B1MMP1MMP3MMP9
SCHEMBL28625179 0.82 MMP1 (0.32) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL4243209 0.78 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL28649647 0.75 SMN1; SMN2 (0.40) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL4242007 0.74 KDM4E (0.38) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL13602082 0.72 PARP1 (0.38) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL13743459 0.72 DEGS1 (0.50) ALDH1A1MAPTKMT2A
SCHEMBL13743720 0.71 NPY5R (0.48) ALDH1A1MAPTKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402436-B Tertiary amino acid derivative, preparation method and application thereof 安徽农业大学 2024-07-12 CN disclosed
CN-113402436-A Trolamine derivatives, preparation method and application thereof 安徽农业大学 2021-09-17 CN disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ALDH1A1 3119/4885HSD17B10 747/4885KDM4E 3718/4885

“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.