SCHEMBL6774515

SCHEMBL6774515

CCOC(=O)C(NC(=O)CCc1ccc(-n2cccc2)cc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
AOC2 O75106 2/20 0.44
RECQL P46063 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
ACACB O00763 1/20 0.41
HTT P42858 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL7611167 0.94 ALDH1A1 (0.44) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6781666 0.83 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1MAPTCYP4F2
SCHEMBL6776662 0.81 MAPT (0.50) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6782416 0.80 PPID (0.47) ALDH1A1LMNAMAPTCYP4F2CYP4A11
SCHEMBL20502747 0.79 ALDH1A1 (0.68) ALDH1A1POLBKMT2A
SCHEMBL6781100 0.78 ALDH1A1 (0.45) ALDH1A1LMNAMAPTCYP4F2CYP4A11
SCHEMBL6774976 0.78 POLB (0.47) ALDH1A1POLBLMNAMAPTCYP4F2
SCHEMBL27541550 0.78 NAMPT (0.57) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7619439 0.77 ALDH1A1 (0.44) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL11601593 0.76 KCNJ1 (0.48) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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 ALDH1A1 3856/4885POLB 38/4885MEN1 364/4885

“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.