SCHEMBL6774233

SCHEMBL6774233

C=CCNc1ccc(CN(C(C)=O)C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 3/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 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
SCHEMBL6781095 0.86 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL11600743 0.84 MAPT (0.48) MAPTALDH1A1TP53LMNAHSD17B10
SCHEMBL7720050 0.83 ALDH1A1 (0.35) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL6775466 0.82 CNR2 (0.46) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL6770651 0.82 CNR2 (0.42) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL7712892 0.79 ALDH1A1 (0.39) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL6782412 0.77 LMNA (0.45) MAPTALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL27475763 0.76 L3MBTL1 (0.60) ALDH1A1L3MBTL1RAB9ANPC1LMNA
SCHEMBL6770865 0.76 CNR2 (0.40) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL11601588 0.75 MAPT (0.46) MAPTALDH1A1L3MBTL1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS MAPT 4380/4885ALDH1A1 3856/4885L3MBTL1 2328/4885

“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.