SCHEMBL6776200

SCHEMBL6776200

CNc1ccc(OC(=O)C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.41
HSD17B10 Q99714 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
ELANE P08246 1/20 0.39
RAB9A P51151 2/20 0.38

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
SCHEMBL1964865 0.83 MAPT (0.63) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL28327957 0.78 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL17285760 0.78 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL4447324 0.77 LMNA (0.68) KMT2AALDH1A1GAALMNACYP3A4
SCHEMBL6618980 0.77 CES2 (0.52) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL24158 0.77 ELANE (0.48) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL23174644 0.75 ELANE (0.44) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL3871529 0.75 LMNA (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6671103 0.75 MAPT (0.47) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL598462 0.75 TDP1 (0.44) KMT2AMEN1ALDH1A1MAPTGAA

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 6 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 claimed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US claimed
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
CN-1152338-A Streptogramines and method for preparing same by mutasynthesis RHONE POULENC RORER SA (FR) 1997-06-18 CN 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 KMT2A 1203/4885MEN1 364/4885ALDH1A1 3856/4885

“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.