SCHEMBL7200252

SCHEMBL7200252

CCCCC(COC)C(=O)C(CCCC)COC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.48
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
SLC1A3 P43003 1/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
FDPS P14324 1/20 0.35

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
SCHEMBL1930750 0.85 CA2 (0.63) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL28017576 0.82 CA2 (0.53) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL14125930 0.81 CA2 (0.61) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL465030 0.77 CA2 (0.70) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL27684610 0.77 CA2 (0.56) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL11166941 0.77 CA2 (0.61) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL819983 0.76 CA2 (0.40) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL888504 0.76 CA2 (0.56) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL13477875 0.75 CA2 (0.61) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL25380887 0.75 CA2 (0.41) CA2CA1MAPK1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030147973-A1 The use of extracts and compounds derived from the plant Aristolochia taliscana and their analogues in the treatment of AIDS. ACHENBACH HANS (DE) 2003-08-07 US disclosed
US-20020099086-A1 Use of extracts from aristolochia in the treatment of AIDS PROTEOME SCIENCES PLC 2002-07-25 US disclosed
EP-1027344-A2 PHARMACEUTICAL COMPOUNDS ISOLATED FROM ARISTOLOCHIA TALISCANA PROTEOME SCIENCES PLC (GB) 2000-08-16 EP disclosed
WO-1999006388-A2 PHARMACEUTICAL COMPOUNDS ISOLATED FROM ARISTOLOCHIA TALISCANA PROTEOME SCIENCES PLC. (GB) 1999-02-11 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-20020099086-A1 Use of extracts from aristolochia in the treatment of AIDS ATL3, APRT, LSS CA2 3931/4885CA1 3815/4885MAPK1 3068/4885
US-20030147973-A1 The use of extracts and compounds derived from the plant Aristolochia taliscana and their analogues in the treatment of AIDS. ATL3, ERG28, LSS CA2 4234/4885CA1 3938/4885MAPK1 2453/4885

“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.