SCHEMBL6775482

SCHEMBL6775482

C=CCCCNc1ccc(CCC(=O)NC(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 3/20 0.37
NAMPT P43490 1/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB11 O95342 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL6775599 0.89 ALDH1A1 (0.42) ALDH1A1NAMPTCYP3A4LMNACYP1A2
SCHEMBL6774237 0.86 NAMPT (0.42) ALDH1A1FFAR1NAMPTLMNACYP4F2
SCHEMBL6781100 0.82 ALDH1A1 (0.45) ALDH1A1FFAR1NAMPTLMNACYP4F2
SCHEMBL11311288 0.79 CYP4F2 (0.47) ALDH1A1CYP3A4LMNATSHRCYP4F2
SCHEMBL6775475 0.77 CNR2 (0.48) ALDH1A1NAMPTTSHRCYP4F2CYP4A11
SCHEMBL6771650 0.76 CNR2 (0.45) ALDH1A1NAMPTCYP4F2CYP4A11HDAC3
SCHEMBL6782416 0.75 PPID (0.47) ALDH1A1NAMPTCYP3A4LMNACYP1A2
SCHEMBL20502747 0.74 ALDH1A1 (0.68) ALDH1A1PKMPOLBKMT2A
SCHEMBL6774976 0.73 POLB (0.47) ALDH1A1LMNACYP2C19SMN1; SMN2CYP4F2
SCHEMBL27541550 0.72 NAMPT (0.57) ALDH1A1NAMPTLMNACYP4F2CYP4A11

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 3856/4885FFAR1 3931/4885NAMPT 1023/4885

“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.