SCHEMBL6337069

SCHEMBL6337069

C=CC(=O)O[C@@H](C=C)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
SLC1A1 P43005 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41
TEAD3 Q99594 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL6337071 1.00 CA1 (0.46) CA1CA2CA7CA9SLC1A1
SCHEMBL2074009 0.85 ALDH1A1 (0.47) CA1CA2CA7CA9SLC1A1
SCHEMBL19944360 0.85 SLC1A1 (0.46) CA1CA2CA7CA9SLC1A1
SCHEMBL291860 0.81 CA1 (0.42) CA1CA2CA7CA9SLC1A1
SCHEMBL291859 0.81 CA1 (0.42) CA1CA2CA7CA9SLC1A1
SCHEMBL8191319 0.79 CA1 (0.54) CA1CA2CA7CA9SLC1A1
SCHEMBL8419725 0.79 CA1 (0.51) CA1CA2CA7CA9SLC1A1
SCHEMBL11447748 0.78 CA1 (0.50) CA1CA2CA7CA9SLC1A1
SCHEMBL30640944 0.77 THRB (0.46) CA1CA2CA7CA9SLC1A1
SCHEMBL30640943 0.77 THRB (0.46) CA1CA2CA7CA9SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919465-B2 Method of preparing (3R, 3aS, 6aR)-3-hydroxyhexahydrofuro[2,3,-b] furan and related compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-07-19 US claimed
US-20040127727-A1 Method of preparing (3R, 3aS, 6aR) -3-hydroxyhexahydrofuro [2,3,-b] furan and related compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2004-07-01 US claimed
WO-2004033462-A2 METHOD OF PREPARING (3R, 3aS, 6aR) -3- HYDROXYHEXAHYDROFURO [2, 3-b] FURAN AND RELATED COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-04-22 WO claimed
US-6919465-B2 Method of preparing (3R, 3aS, 6aR)-3-hydroxyhexahydrofuro[2,3,-b] furan and related compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-07-19 US disclosed
US-20040127727-A1 Method of preparing (3R, 3aS, 6aR) -3-hydroxyhexahydrofuro [2,3,-b] furan and related compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2004-07-01 US disclosed
WO-2004033462-A2 METHOD OF PREPARING (3R, 3aS, 6aR) -3- HYDROXYHEXAHYDROFURO [2, 3-b] FURAN AND RELATED COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-04-22 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-20040127727-A1 Method of preparing (3R, 3aS, 6aR) -3-hydroxyhexahydrofuro [2,3,-b] furan and related compounds HSD3B1, HSD3B2, CYP1B1 CA1 4747/4885CA2 4820/4885CA7 4242/4885

“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.