SCHEMBL29634901

SCHEMBL29634901

Oc1c2cc(c(O)c1O)Cc1cc(c(O)c(O)c1O)Cc1cc(c(O)c(O)c1O)Cc1cc(c(O)c(O)c1O)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.46
DUSP5 Q16690 1/20 0.42
DUSP6 Q16828 1/20 0.42
PTPRB P23467 1/20 0.41
CD69 Q07108 1/20 0.35
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN4 P29074 1/20 0.32
PTPN9 P43378 1/20 0.32
PTPN11 Q06124 1/20 0.32
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL29617578 0.71 ING2 (0.35) ING2DUSP5DUSP6PTPRBCYP3A4
SCHEMBL15076044 0.71 ING2 (0.35) ING2DUSP5DUSP6PTPRBCYP3A4
SCHEMBL2995695 0.71 CYP3A4 (0.48) ING2DUSP5DUSP6PTPRBCD69
SCHEMBL13287042 0.71 SELL (0.48) ING2DUSP5DUSP6PTPRBCD69
SCHEMBL30525542 0.67 FYN (0.48) ING2CYP3A4MAPTDRD2DRD1
SCHEMBL29441859 0.67 FYN (0.41) ING2DUSP5DUSP6PTPRBCYP3A4
SCHEMBL7777089 0.67 FYN (0.48) ING2CYP3A4MAPTDRD2DRD1
SCHEMBL14848401 0.66 ING2 (0.46) ING2DUSP5DUSP6PTPRBCD69
SCHEMBL30547266 0.66 GABRA1 (0.50) ING2DUSP5DUSP6PTPRBCD69
SCHEMBL2471228 0.66 GABRA1 (0.50) ING2DUSP5DUSP6PTPRBCD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208921-A1 Synthesis of Thiophene Derivatized Polyphenolic Calixarenes UNIVERSITY OF CINCINNATI (US) 2024-06-27 US claimed
US-11815431-B2 Electrical gas detector comprising an arene-functionalized nanowire UNIVERSITY OF SURREY 2023-11-14 US claimed
EP-3548882-B1 FIELD-EFFECT-BASED GAS DETECTOR COMPRISING AN ARENE-FUNCTIONALIZED NANOWIRE AN ARENE-FUNCTIONALIZED NANOWIRE UNIV SURREY (GB) 2023-09-13 EP claimed
US-20230168203-A9 Pyrogallarene Chelating and Sequestering Agents KINSEY SPIEL (US) 2023-06-01 US claimed
US-20240208921-A1 Synthesis of Thiophene Derivatized Polyphenolic Calixarenes UNIVERSITY OF CINCINNATI (US) 2024-06-27 US disclosed
US-11815431-B2 Electrical gas detector comprising an arene-functionalized nanowire UNIVERSITY OF SURREY 2023-11-14 US disclosed
EP-3548882-B1 FIELD-EFFECT-BASED GAS DETECTOR COMPRISING AN ARENE-FUNCTIONALIZED NANOWIRE AN ARENE-FUNCTIONALIZED NANOWIRE UNIV SURREY (GB) 2023-09-13 EP disclosed
US-20230168203-A9 Pyrogallarene Chelating and Sequestering Agents KINSEY SPIEL (US) 2023-06-01 US disclosed
US-11629113-B2 Pyrogallol[2]resorcin[2]arene UNIVERSITY OF CINCINNATI (US) 2023-04-18 US disclosed
US-20220135508-A1 Pyrogallol[2]resorcin[2]arene UNIVERSITY OF CINCINNATI (US) 2022-05-05 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 (3 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-20220135508-A1 Pyrogallol[2]resorcin[2]arene AGL, PGLS, MGAM ING2 3946/4885DUSP5 2840/4885DUSP6 1617/4885
US-11629113-B2 Pyrogallol[2]resorcin[2]arene AGL, PGLS, MGAM ING2 3946/4885DUSP5 2840/4885DUSP6 1617/4885
US-20240208921-A1 Synthesis of Thiophene Derivatized Polyphenolic Calixarenes LGALS4, CALD1, CALU ING2 2349/4885DUSP5 1752/4885DUSP6 1588/4885

“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.