SCHEMBL4787649

SCHEMBL4787649

NC(=O)Oc1ccccc1CO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RCE1 Q9Y256 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11174975 0.86 MEN1 (0.42) EPHX1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL30185875 0.84 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1NPSR1HPGD
SCHEMBL27471665 0.84 MEN1 (0.41) EPHX1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL1835772 0.84 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1NPSR1HPGD
SCHEMBL3342292 0.83 EPHX1 (0.53) EPHX1L3MBTL1CYP4F2CYP4A11APOBEC3G
SCHEMBL11712958 0.82 MEN1 (0.39) EPHX1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL28349710 0.82 MEN1 (0.39) EPHX1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL4193615 0.82 MEN1 (0.39) EPHX1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL28299708 0.82 MEN1 (0.39) EPHX1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL1395495 0.82 EPHX1 (0.51) EPHX1MEN1KMT2AL3MBTL1CYP4F2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102521-A Multifunctional prodrug delivery compound based on in-vivo active oxygen response, preparation method and application 西安交通大学 2023-05-12 CN disclosed
CN-114891053-A Compositions comprising reversibly modified oligonucleotides and uses thereof 迪克纳制药公司 2022-08-12 CN disclosed
CN-109890207-B Compositions comprising reversibly modified oligonucleotides and uses thereof 迪克纳制药公司 2022-05-27 CN disclosed
CN-109890207-A COMPOSITIONS COMPRISING REVERSIBLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF 迪克纳制药公司 2019-06-14 CN disclosed
US-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 US disclosed
WO-2008118784-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY TARGANTA THERAPEUTICS CORP. (US) 2008-10-02 WO 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-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA EPHX1 2899/4885MEN1 3682/4885KMT2A 4611/4885

“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.