SCHEMBL6775599

SCHEMBL6775599

C=CCCCc1ccc(CCC(=O)NC(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP4Z1 Q86W10 3/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
HDAC1 Q13547 2/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 1/20 0.36
GAA P10253 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
SCHEMBL6775482 0.89 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL6774237 0.83 NAMPT (0.42) ALDH1A1LMNACYP4F2CYP4A11CYP4Z1
SCHEMBL6771650 0.82 CNR2 (0.45) ALDH1A1CYP4F2CYP4A11CYP4Z1CYP4F11
SCHEMBL6782416 0.80 PPID (0.47) ALDH1A1LMNACYP1A2CYP3A4CYP4F2
SCHEMBL6775475 0.80 CNR2 (0.48) ALDH1A1TSHRCYP4F2CYP4A11CYP4Z1
SCHEMBL20502747 0.79 ALDH1A1 (0.68) ALDH1A1POLBKMT2A
SCHEMBL6781100 0.78 ALDH1A1 (0.45) ALDH1A1LMNACYP4F2CYP4A11CYP4Z1
SCHEMBL6774976 0.78 POLB (0.47) ALDH1A1SMN1; SMN2LMNACYP2C19CYP4F2
SCHEMBL27541550 0.78 NAMPT (0.57) ALDH1A1LMNACYP4F2CYP4A11KMT2A
SCHEMBL7619439 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP4F2CYP4A11HDAC1

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 ALDH1A1 3856/4885SMN1; SMN2 2700/4885LMNA 929/4885

“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.