SCHEMBL6694732

SCHEMBL6694732

CC(C)=CCCC(C)CCOP(=O)(Oc1ccccc1)OP(=O)(O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
NFE2L2 Q16236 1/20 0.39
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
BTN3A1 O00481 8/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL28326977 0.91 ALOX15 (0.47) ALOX15NFE2L2ANPEPLAP3BTN3A1
Biphenyl SCHEMBL6700610 0.78 FNTA (0.48) ALOX15NFE2L2BTN3A1FNTAFNTB
SCHEMBL3166296 0.75 ANPEP (0.42) ANPEPLAP3ALDH1A1
SCHEMBL6690483 0.73 BTN3A1 (0.54) ALOX15BTN3A1FNTAFNTBALDH1A1
SCHEMBL22235275 0.73 BTN3A1 (0.54) ALOX15BTN3A1FNTAFNTBALDH1A1
SCHEMBL8159094 0.72 ALOX15 (0.57) ALOX15NFE2L2FNTAFNTBALDH1A1
SCHEMBL7941003 0.72 SRC (0.40) ANPEPLAP3ALDH1A1
SCHEMBL6689625 0.72 ALOX15 (0.60) ALOX15NFE2L2BTN3A1FNTAFNTB
Hydrochloric Acid SCHEMBL6698170 0.71 ALOX15 (0.58) ALOX15NFE2L2BTN3A1FNTAFNTB
SCHEMBL9555425 0.71 FDPS (0.42) ANPEPLAP3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180813-A1 4-Amino acid functionalized-2-pyrophosphatyl-pyranes; direct assay, high throughput screening for enzyme inhibitors; N-acetylglucosaminyltransferase THE TRUSTEES OF PRINCETON UNIVERSITY 2004-09-16 US disclosed
US-6703213-B2 ENZYME INHIBITOR FOR USE IN THE TREATMENT AND PREVENTION OF BACTERIAL INFECTIONS THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-09 US disclosed
US-20020182661-A1 Substrate analogs for MurG, methods of making same and assays using same TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-12-05 US disclosed
EP-1053305-A4 SUBSTRATE ANALOGS FOR MurG, METHODS OF MAKING SAME AND ASSAYS USING SAME UNIV PRINCETON (US) 2002-08-21 EP disclosed
US-6413732-B1 N-ACETYLGLUCOSAMINYL-URIDINE DIPHOSPHATE (UDP); MONITORING N-ACETYLGLUCOSAMINYL TRANSFERASE INVOLVED IN BACTERIAL CELL WALL BIOSYNTHESIS; ANTIBIOTICS, BACTERICIDES THE TRUSTEES OF PRINCETON UNIVERSITY 2002-07-02 US disclosed
EP-1053305-A1 SUBSTRATE ANALOGS FOR MurG, METHODS OF MAKING SAME AND ASSAYS USING SAME Princeton University (US) 2000-11-22 EP disclosed
WO-1999038958-A9 SUBSTRATE ANALOGS FOR MurG, METHODS OF MAKING SAME AND ASSAYS USING SAME UNIV PRINCETON (US) 1999-10-14 WO disclosed
WO-1999038958-A1 SUBSTRATE ANALOGS FOR MurG, METHODS OF MAKING SAME AND ASSAYS USING SAME PRINCETON UNIVERSITY (US) 1999-08-05 WO 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-20040180813-A1 4-Amino acid functionalized-2-pyrophosphatyl-pyranes; direct assay, high throughput screening for enzyme inhibitors; N-acetylglucosaminyltransferase DPAGT1, MAGT1, OGT ALOX15 1048/4885NFE2L2 4505/4885ANPEP 181/4885

“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.