SCHEMBL7754513

SCHEMBL7754513

CO/C=C(\Oc1cccc(O/C(=C\OC)C(=O)OC)c1C(=O)O)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
MAPK1 P28482 1/20 0.34
EDNRA P25101 1/20 0.34
FABP4 P15090 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL7754517 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7795814 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7803840 0.91 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7803838 0.91 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7801818 0.90 POLB (0.42) CA12CA1CA2CA7CA9
SCHEMBL7795765 0.90 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7803904 0.90 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7801816 0.90 POLB (0.42) CA12CA1CA2CA7CA9
SCHEMBL7795760 0.90 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7803906 0.90 CA12 (0.41) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010029239-A1 New herbicidal compositions CRAMP MICHAEL COLIN (GB) 2001-10-11 US disclosed
WO-2001047863-A2 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE SA (FR) 2001-07-05 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-20010029239-A1 New herbicidal compositions DDT, CYP1B1, CYP4X1 CA12 4289/4885CA1 2370/4885CA2 1056/4885

“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.