SCHEMBL23925764

SCHEMBL23925764

COC(=O)CCc1cc2c(c(C(C)(C)C)c1)OC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
VCAM1 P19320 1/20 0.35
PDE4D Q08499 1/20 0.34
ACHE P22303 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL7089410 0.86 GAA (0.39) GAAKMT2AMEN1MAOBMAOA
SCHEMBL7636730 0.78 PTPN1 (0.44) GAAKMT2AMEN1VCAM1PDE4D
SCHEMBL6074895 0.77 GAA (0.41) GAAKMT2AMEN1MAOBMAOA
SCHEMBL490767 0.76 GAA (0.67) GAAKMT2AMEN1VCAM1CA2
SCHEMBL14342310 0.75 GAA (0.53) GAAKMT2AMEN1MAOBMAOA
Methane SCHEMBL9226524 0.75 GAA (0.65) GAAKMT2AMEN1VCAM1CA2
SCHEMBL7647695 0.75 GAA (0.65) GAAKMT2AMEN1VCAM1CA2
SCHEMBL8196580 0.74 PTPN1 (0.43) GAAKMT2AMEN1MAOBMAOA
SCHEMBL20862842 0.74 GAA (0.51) GAAKMT2AMEN1VCAM1ALDH1A1
SCHEMBL23925931 0.74 PRKCA (0.38) ALDH1A1LMNA

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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 GAA 809/4885KMT2A 2212/4885MEN1 3142/4885

“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.