SCHEMBL6774976

SCHEMBL6774976

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 3/20 0.44
EPHX2 P34913 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ESRRG P62508 3/20 0.42
ESRRB O95718 2/20 0.42
UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL6782416 0.83 PPID (0.47) ALDH1A1LMNAMAPTCYP4F2CYP4A11
SCHEMBL20502747 0.82 ALDH1A1 (0.68) POLBALDH1A1UTS2R
SCHEMBL6781100 0.81 ALDH1A1 (0.45) ALDH1A1LMNAMAPTCYP4F2CYP4A11
SCHEMBL27541550 0.81 NAMPT (0.57) GAAALDH1A1LMNAMAPTEPHX2
SCHEMBL7619439 0.80 ALDH1A1 (0.44) POLBGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL11601593 0.79 KCNJ1 (0.48) GAACYP2C19ALDH1A1LMNAMAPT
SCHEMBL4888029 0.78 CYP4F2 (0.68) POLBGAACYP2C19LMNAMAPT
SCHEMBL6774515 0.78 ALDH1A1 (0.47) POLBALDH1A1LMNAMAPTCYP4F2
SCHEMBL6775599 0.78 ALDH1A1 (0.42) POLBGAACYP2C19ALDH1A1LMNA
SCHEMBL6777236 0.77 ALDH1A1 (0.45) CYP2C19ALDH1A1MAPTSMN1; SMN2CYP4F2

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 4 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-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 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 POLB 38/4885GAA 190/4885CYP2C19 1426/4885

“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.