SCHEMBL6689625

SCHEMBL6689625

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.60
ALDH1A1 P00352 1/20 0.52
NFE2L2 Q16236 1/20 0.44
FNTA P49354 4/20 0.40
FNTB P49356 4/20 0.40
USP2 O75604 1/20 0.40
GGPS1 O95749 2/20 0.40
FDPS P14324 2/20 0.40
TSHR P16473 1/20 0.40
BTN3A1 O00481 1/20 0.40

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
Hydrochloric Acid SCHEMBL6698170 0.98 ALOX15 (0.58) ALOX15ALDH1A1NFE2L2FNTAFNTB
SCHEMBL396770 0.91 FNTA (0.53) ALOX15FNTAFNTB
SCHEMBL29500461 0.91 FNTA (0.53) ALOX15FNTAFNTB
SCHEMBL6690483 0.87 BTN3A1 (0.54) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL22235275 0.87 BTN3A1 (0.54) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL9718741 0.87 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2FNTAFNTB
SCHEMBL8159094 0.83 ALOX15 (0.57) ALOX15ALDH1A1NFE2L2FNTAFNTB
SCHEMBL9718748 0.83 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TSHR
SCHEMBL394658 0.80 FNTA (0.65) FNTAFNTBGGPS1
SCHEMBL17955374 0.80 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2GGPS1

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 1048/4885ALDH1A1 2591/4885NFE2L2 4505/4885

“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.