SCHEMBL6748993

SCHEMBL6748993

C=C(C)CCOP(=O)(O)OP(=O)(O)OCC=C(C)C

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.65
FNTA P49354 15/20 0.50
FNTB P49356 13/20 0.50
PGGT1B P53609 6/20 0.50
GGPS1 O95749 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
Isopentenylpyrophosphate SCHEMBL1981843 0.94 BTN3A1 (0.76) BTN3A1FNTAFNTBPGGT1BGGPS1
Isopentenylpyrophosphate SCHEMBL4367209 0.94 BTN3A1 (0.76) BTN3A1FNTAFNTBPGGT1BGGPS1
SCHEMBL3211424 0.86 BTN3A1 (0.85) BTN3A1FNTAFNTBPGGT1BGGPS1
SCHEMBL3215369 0.84 BTN3A1 (0.81) BTN3A1FNTAFNTBPGGT1BGGPS1
SCHEMBL9963967 0.84 BTN3A1 (0.84) BTN3A1FNTAFNTBPGGT1B
Geranyl Diphosphate SCHEMBL19971954 0.84 FNTA (0.74) BTN3A1FNTAFNTBPGGT1BGGPS1
Geranyl Diphosphate SCHEMBL16767264 0.84 FNTA (0.74) BTN3A1FNTAFNTBPGGT1BGGPS1
Farnesyl Diphosphate SCHEMBL6061708 0.82 FNTA (0.80) BTN3A1FNTAFNTBPGGT1BGGPS1
Isopentenylpyrophosphate SCHEMBL28016670 0.82 FNTA (0.70) BTN3A1FNTAFNTBPGGT1BGGPS1
Isopentenylpyrophosphate SCHEMBL16767444 0.81 FNTA (0.78) BTN3A1FNTAFNTBPGGT1BGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235797-A1 Methods for identifying compounds useful for inhibiting farnesyl diphosphate synthase BERGSTROM JAMES D (US) 2004-11-25 US disclosed
EP-1159447-A4 METHODS FOR IDENTIFYING COMPOUNDS USEFUL FOR INHIBITING FARNESYL DIPHOSPHATE SYNTHASE MERCK & CO INC (US) 2004-11-03 EP disclosed
US-20020151459-A1 Methods for identifying compounds useful for inhibiting farnesyl diphosphate synthase MERCK & CO., INC. 2002-10-17 US disclosed
EP-1159447-A1 METHODS FOR IDENTIFYING COMPOUNDS USEFUL FOR INHIBITING FARNESYL DIPHOSPHATE SYNTHASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000052198-A1 METHODS FOR IDENTIFYING COMPOUNDS USEFUL FOR INHIBITING FARNESYL DIPHOSPHATE SYNTHASE MERCK & CO., INC. (US) 2000-09-08 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 (2 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-20040235797-A1 Methods for identifying compounds useful for inhibiting farnesyl diphosphate synthase FDPS, GGPS1, FNTA BTN3A1 3865/4885FNTA 3/4885FNTB 4/4885
US-20020151459-A1 Methods for identifying compounds useful for inhibiting farnesyl diphosphate synthase FDPS, GGPS1, FNTA BTN3A1 3865/4885FNTA 3/4885FNTB 4/4885

“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.