SCHEMBL23802436

SCHEMBL23802436

COc1ccc(C(=O)c2ccc3[nH]c4ccc(C(=O)CCC5CCCC5)cc4c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ACHE P22303 6/20 0.46
HTR4 Q13639 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KLK7 P49862 2/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
PTPN5 P54829 1/20 0.40

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
SCHEMBL1304895 0.80 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL23801326 0.79 HDAC8 (0.47) PDE4BALDH1A1GAA
SCHEMBL23802437 0.78 CNR2 (0.47) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL25515699 0.75 ALDH1A1 (0.65) TP53SMN1; SMN2ALDH1A1GAA
SCHEMBL25521284 0.74 PTPN5 (0.52) ACHELMNAALDH1A1GAAPTPN5
SCHEMBL11400510 0.72 TDP1 (0.52) PDE4BACHEHTR4SMN1; SMN2ALDH1A1
SCHEMBL8911428 0.71 MAOA (0.49) ACHEHTR4SMN1; SMN2ALDH1A1GAA
SCHEMBL23801792 0.70 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL8910547 0.70 MEN1 (0.48) ACHEHTR4SMN1; SMN2ALDH1A1GAA
SCHEMBL23802440 0.69 CNR2 (0.48) PDE4APDE4BPDE4CPDE4DACHE

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
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-05-11 US disclosed
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-05-11 US disclosed
WO-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 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-20230142648-A1 OXIME ESTER PHOTOINITIATORS OCIAD1, OCIAD2, OXER1 PDE4A 2924/4885PDE4B 3046/4885PDE4C 3455/4885

“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.