SCHEMBL29640424

SCHEMBL29640424

COc1cccc(C#Cc2ccc(O)c(O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
FFAR1 O14842 1/20 0.54
GRM5 P41594 4/20 0.53
EGLN1 Q9GZT9 1/20 0.52
APP P05067 1/20 0.46
HAO1 Q9UJM8 2/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44

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
SCHEMBL30707880 0.85 GRM5 (0.66) CA12CA1CA2CA9FFAR1
SCHEMBL6132140 0.85 GRM5 (0.66) CA12CA1CA2CA9FFAR1
SCHEMBL15014349 0.84 APP (0.66) CA12CA1CA2CA9APP
SCHEMBL27952694 0.82 GRM5 (0.55) CA12CA1CA2CA9FFAR1
SCHEMBL702612 0.82 CA12 (0.66) CA12CA1CA2CA9FFAR1
SCHEMBL4267103 0.80 CA12 (0.63) CA12CA1CA2CA9FFAR1
SCHEMBL4528239 0.79 APP (0.59) CA12CA1CA2CA9FFAR1
SCHEMBL13335288 0.79 CA12 (0.62) CA12CA1CA2CA9FFAR1
SCHEMBL24434459 0.78 GRM5 (0.54) CA12CA1CA2CA9FFAR1
SCHEMBL2869132 0.77 CA12 (0.56) CA12CA1CA2CA9FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280402-B1 TOLAN COMPOUNDS FOR PROMOTING WOUND HEALING BIOMENDICS LLC (US) 2024-06-05 EP disclosed
US-20220296538-A1 Substituted Tolans for the Modulation of Microbial Colonization BioMendics, LLC (US) 2022-09-22 US disclosed
US-11351126-B2 Substituted tolans for the modulation of microbial colonization BioMendics, LLC (US) 2022-06-07 US 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-11351126-B2 Substituted tolans for the modulation of microbial colonization LMAN1, DPM1, DSTN CA12 4823/4885CA1 4803/4885CA2 4202/4885
US-20220296538-A1 Substituted Tolans for the Modulation of Microbial Colonization LMAN1, DPM1, DSTN CA12 4823/4885CA1 4803/4885CA2 4202/4885

“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.