SCHEMBL6700613

SCHEMBL6700613

CC(C)=CCCC(C)CC(OP(=O)(O)OP(=O)(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.42
FNTB P49356 8/20 0.42
BTN3A1 O00481 2/20 0.36
PGGT1B P53609 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34

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
Biphenyl SCHEMBL6700610 0.74 FNTA (0.48) FNTAFNTBBTN3A1PGGT1BALOX15
SCHEMBL28654612 0.70 ALDH1A1 (0.41) KDM4ETSHR
SCHEMBL6690483 0.68 BTN3A1 (0.54) FNTAFNTBBTN3A1PGGT1BALOX15
SCHEMBL22235275 0.68 BTN3A1 (0.54) FNTAFNTBBTN3A1PGGT1BALOX15
SCHEMBL7736242 0.65 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL25333699 0.65 BTN3A1 (0.36) BTN3A1TSHR
SCHEMBL4649593 0.65 ALOX15 (0.47) KDM4ETSHRALOX15
SCHEMBL6694732 0.65 ALOX15 (0.41) FNTAFNTBBTN3A1ALOX15
SCHEMBL3270090 0.64 ALOX15 (0.37) KDM4ETSHRALOX15
SCHEMBL394658 0.63 FNTA (0.65) FNTAFNTBPGGT1B

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 FNTA 52/4885FNTB 112/4885BTN3A1 4134/4885

“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.